SCHEMBL8730331

SCHEMBL8730331

O=Cc1ccccc1-c1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.65
CYP2A6 P11509 1/20 0.65
SIRT2 Q8IXJ6 2/20 0.50
PIM1 P11309 2/20 0.50
PRKD3 O94806 2/20 0.50
ABL1 P00519 2/20 0.50
CCNB2 O95067 1/20 0.50
CCNE2 O96020 1/20 0.50
PRKCG P05129 1/20 0.50
PRKCB P05771 1/20 0.50
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CCNB1 P14635 1/20 0.50
PRKCA P17252 1/20 0.50
PRKACA P17612 1/20 0.50
PRKACG P22612 1/20 0.50
PRKACB P22694 1/20 0.50
CCND1 P24385 1/20 0.50
PRKCH P24723 1/20 0.50
CCNE1 P24864 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7370729 0.82 SIRT2 (0.46) IMPDH2CYP2A6SIRT2PIM1PRKD3
SCHEMBL20846135 0.81 CYP2A6 (0.46) IMPDH2CYP2A6NR4A2TDO2
SCHEMBL1202543 0.80 IMPDH2 (0.63) IMPDH2SIRT2PIM1PRKD3ABL1
3-Formylindole SCHEMBL56373 0.79 CYP2A6 (1.00) IMPDH2CYP2A6PIM1PRKD3ABL1
3-Formylindole SCHEMBL30782674 0.79 CYP2A6 (1.00) IMPDH2CYP2A6PIM1PRKD3ABL1
3-Formylindole SCHEMBL38654556 0.79 CYP2A6 (1.00) IMPDH2CYP2A6PIM1PRKD3ABL1
3-Formylindole SCHEMBL30786737 0.79 CYP2A6 (1.00) IMPDH2CYP2A6PIM1PRKD3ABL1
3-Formylindole SCHEMBL23630272 0.77 CYP2A6 (0.96) IMPDH2CYP2A6PIM1PRKD3ABL1
3-Formylindole SCHEMBL7432698 0.77 CYP2A6 (0.96) IMPDH2CYP2A6PIM1PRKD3ABL1
3-Formylindole SCHEMBL30234679 0.77 CYP2A6 (0.96) IMPDH2CYP2A6PIM1PRKD3ABL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093395-B Indoline 3, 4-naphthaline ring framework compound, preparation method and application thereof 青岛农业大学 2023-03-28 CN claimed
CN-115093395-A Indoline 3, 4-naphthalene ring framework compound, preparation method and application thereof 青岛农业大学 2022-09-23 CN claimed
CN-111187220-A Trifluoromethyl pyrimidine derivative containing Schiff base structural unit and preparation method and application thereof 郑州大学 2020-05-22 CN claimed
CN-108329249-A A kind of method of synthesis of indole -3- benzaldehyde compounds 盐城锦明药业有限公司 2018-07-27 CN claimed
CN-102746211-A Method for preparing substituted indole-3-methanal compound Shanghai titan chemical co ltd 2012-10-24 CN claimed
CN-102321009-A Arylhydrazone derivate, preparation method thereof and application in preparing anti-HIV-1 medicines UNIV NORTHWEST A&F 2012-01-18 CN claimed
CN-115181090-B New application of indoline 3,4 naphthaline ring skeleton compound and plant bactericide 青岛农业大学 2023-04-14 CN disclosed
CN-115093395-B Indoline 3, 4-naphthaline ring framework compound, preparation method and application thereof 青岛农业大学 2023-03-28 CN disclosed
CN-115093395-B Indoline 3, 4-naphthaline ring framework compound, preparation method and application thereof 青岛农业大学 2023-03-28 CN disclosed
CN-115181090-A New application of indoline 3, 4-naphthaline ring framework compound and plant bactericide 青岛农业大学 2022-10-14 CN disclosed
CN-115093395-A Indoline 3, 4-naphthalene ring framework compound, preparation method and application thereof 青岛农业大学 2022-09-23 CN disclosed
CN-115093395-A Indoline 3, 4-naphthalene ring framework compound, preparation method and application thereof 青岛农业大学 2022-09-23 CN disclosed
CN-111187220-B Trifluoromethyl pyrimidine derivative containing Schiff base structural unit and preparation method and application thereof 郑州大学 2022-08-02 CN disclosed
CN-108329249-A A kind of method of synthesis of indole -3- benzaldehyde compounds 盐城锦明药业有限公司 2018-07-27 CN disclosed
CN-108329249-A A kind of method of synthesis of indole -3- benzaldehyde compounds 盐城锦明药业有限公司 2018-07-27 CN disclosed
CN-102746211-A Method for preparing substituted indole-3-methanal compound Shanghai titan chemical co ltd 2012-10-24 CN disclosed
CN-102321009-A Arylhydrazone derivate, preparation method thereof and application in preparing anti-HIV-1 medicines UNIV NORTHWEST A&F 2012-01-18 CN disclosed
EP-0809622-A4 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC (US) 1998-07-08 EP disclosed
EP-0809622-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1997-12-03 EP disclosed
WO-1996025383-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1996-08-22 WO disclosed