SCHEMBL28690604

SCHEMBL28690604

Nc1[nH]nc2ccc3ccccc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.50
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
CCNE2 O96020 1/20 0.43
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
NR4A1 P22736 1/20 0.41
CYP3A4 P08684 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CCNT1 O60563 1/20 0.41
TP53 P04637 1/20 0.41
CDK1 P06493 1/20 0.41
CYP2C9 P11712 1/20 0.41
CCNB1 P14635 1/20 0.41
EIF2AK2 P19525 1/20 0.41
CCNA2 P20248 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
SCHEMBL5002402 0.78 TYMS (0.46) TYMSKMT2AMAPTMEN1CYP3A4
SCHEMBL11882019 0.77 CLK1 (0.42) KMT2AGAACCNE1CDK2MEN1
SCHEMBL28704783 0.75 TYMS (0.44) TYMSKMT2AGAACDK2MEN1
SCHEMBL1897984 0.73 KMT2A (0.43) KMT2AMAPTGAACCNE1CDK2
SCHEMBL1100756 0.71 CYP1A2 (0.56) KMT2AMAPTGAACCNE1CDK2
Hydrochloric Acid SCHEMBL28280840 0.70 CYP1A2 (0.54) KMT2AMAPTGAACCNE1CDK2
SCHEMBL15545385 0.69 HSD17B10 (0.52) TYMSKMT2AMAPTMEN1CYP3A4
Hydrochloric Acid SCHEMBL28279917 0.68 CYP1A2 (0.52) KMT2AMAPTGAACCNE1CDK2
SCHEMBL17066270 0.68 ALDH1A1 (0.63) TYMSKMT2AMAPTGAAPOLB
SCHEMBL1897471 0.68 KMT2A (0.46) KMT2AMAPTGAACCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113329630-B Herbicidal composition 拜耳公司 2024-04-26 CN disclosed
CN-116456817-A Heterocyclic compound and harmful arthropod control composition containing same 住友化学株式会社 2023-07-18 CN disclosed
CN-115947688-A Pyrazolonaphthylamine hapten, antigen, antibody, detection device, preparation and application thereof 佛山职业技术学院 2023-04-11 CN disclosed
CN-115947688-A Pyrazolonaphthylamine hapten, antigen, antibody, detection device, preparation and application thereof 佛山职业技术学院 2023-04-11 CN disclosed
CN-115135150-A Pesticide granule composition for rice seedling raising box with reduced phytotoxicity 日商拜耳作物科学股份有限公司 2022-09-30 CN disclosed
CN-114144057-A Seedling rope for greening seedlings of rice comprising rope and rice fixed to the rope, method for producing the same, and method for cultivating rice comprising rice seeds or seedling rope placed on bottom of trench 日商费尔德生技股份有限公司 2022-03-04 CN disclosed
CN-108349897-B Trisubstituted silylphenoxyheterocycles and analogs 拜耳作物科学股份公司 2022-03-04 CN disclosed
CN-106132202-B Plant disease control composition and method for controlling plant disease using the same 三井化学AGRO株式会社 2021-12-31 CN disclosed