SCHEMBL29664680

SCHEMBL29664680

Cc1cc(C(=O)O)ccc1-n1cncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.54
ESR1 P03372 1/20 0.54
ALOX15 P16050 1/20 0.54
PTPN7 P35236 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
S1PR3 Q99500 1/20 0.50
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
ADH5 P11766 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL18394604 1.00 MYC (0.54) MYCESR1ALOX15PTPN7HSD17B10
SCHEMBL29664608 0.82 CYP1A2 (0.71) CYP1A2CYP2C9CYP2C19CYP3A4S1PR3
SCHEMBL12490579 0.82 CYP1A2 (0.71) CYP1A2CYP2C9CYP2C19CYP3A4S1PR3
SCHEMBL600179 0.81 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19CYP3A4S1PR3
SCHEMBL28183105 0.80 MYC (0.50) MYCCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL1613623 0.78 S1PR3 (0.47) CYP1A2CYP2C9CYP2C19CYP3A4S1PR3
SCHEMBL1613624 0.78 S1PR3 (0.47) CYP1A2CYP2C9CYP2C19CYP3A4S1PR3
SCHEMBL7440051 0.78 ADH5 (0.62) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL299335 0.77 MAPT (0.65) POLBALDH1A1MAPTKMT2A
SCHEMBL16944266 0.77 POLB (0.42) CYP1A2CYP2C9CYP2C19CYP3A4S1PR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111386118-B Combination pharmaceutical agents as RSV inhibitors 英安塔制药有限公司 2023-05-09 CN disclosed
CN-108200760-B Benzodiazepine derivatives as RSV inhibitors 英安塔制药有限公司 2022-04-01 CN disclosed