SCHEMBL29947266

SCHEMBL29947266

COC(=O)c1cccc2c1ncn2-c1n[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ NR4A2 P43354 4/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ PKN1 Q16512 1/20 0.39
▸ PKN2 Q16513 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ CTNNB1 P35222 1/20 0.38

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
SCHEMBL29947240 0.83 KDM4E (0.51) KDM4ESTAT3HIF1ANR4A2CREBBP
SCHEMBL311147 0.72 MAPK1 (0.52) KDM4EALDH1A1FGFR1
SCHEMBL3072756 0.72 NR4A2 (0.49) KDM4ENR4A2MAPTKMT2AALDH1A1
SCHEMBL31498285 0.71 HTT (0.55) NR4A2MAPTKMT2AALDH1A1EGLN1
SCHEMBL27801091 0.71 LCK (0.42) KDM4ENR4A2MAPTKMT2AALDH1A1
SCHEMBL12894984 0.69 NR4A2 (0.52) KDM4ENR4A2KMT2AEGLN1LMNA
SCHEMBL28854075 0.69 PIK3CB (0.45) KDM4ENR4A2MAPTKMT2AALDH1A1
SCHEMBL4251187 0.68 EGLN1 (0.50) EGLN1LMNAYTHDC1
SCHEMBL6669514 0.68 FGFR1 (0.61) KDM4EALDH1A1THRBLMNAFGFR1
SCHEMBL498053 0.67 KDM4E (1.00) KDM4ESTAT3HIF1AFLT3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115087655-A Benzimidazole derivatives 辉瑞公司 2022-09-20 — — CN disclosed
Send feedback