SCHEMBL30103067

SCHEMBL30103067

COC(=O)c1cc(Cl)cc2cnn(Cc3cnc(-c4ccccc4)nc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CNR1 P21554 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
PLA2G2A P14555 2/20 0.37
KDM4E B2RXH2 1/20 0.37
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
NPBWR1 P48145 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
AR P10275 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL24785446 1.00 KMT2A (0.40) KMT2AMEN1SMN1; SMN2CNR1CYP1A2
SCHEMBL24784564 0.90 NPBWR1 (0.41) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL30103029 0.90 NPBWR1 (0.41) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL30843297 0.90 NPBWR1 (0.44) KMT2AMEN1SMN1; SMN2CNR1CYP1A2
SCHEMBL21458333 0.90 NPBWR1 (0.44) KMT2AMEN1SMN1; SMN2CNR1CYP1A2
SCHEMBL24785074 0.90 NR1H2 (0.42) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL30103084 0.90 NR1H2 (0.42) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL24785451 0.89 MEN1 (0.43) KMT2AMEN1SMN1; SMN2POLBKDM4E
SCHEMBL30018739 0.89 MEN1 (0.43) KMT2AMEN1SMN1; SMN2POLBKDM4E
SCHEMBL24784529 0.88 KMT2A (0.45) KMT2AMEN1SMN1; SMN2CNR1CYP1A2

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-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed