SCHEMBL30103029

SCHEMBL30103029

COC(=O)c1cc(Cl)cc2cnn(Cc3cnc(-c4ccc(OC)cc4)nc3)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.41
PLA2G2A P14555 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
BRD4 O60885 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MCHR1 Q99705 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
UCHL1 P09936 1/20 0.38
GCGR P47871 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL24784564 1.00 NPBWR1 (0.41) NPBWR1PLA2G2AKDM4ECYP1A2CYP2D6
SCHEMBL24784545 0.91 NPBWR1 (0.41) NPBWR1KDM4EMEN1KMT2AGCGR
SCHEMBL30103058 0.91 NPBWR1 (0.41) NPBWR1KDM4EMEN1KMT2AGCGR
SCHEMBL30103067 0.90 KMT2A (0.40) NPBWR1PLA2G2AKDM4ECYP1A2CYP2C9
SCHEMBL24785446 0.90 KMT2A (0.40) NPBWR1PLA2G2AKDM4ECYP1A2CYP2C9
SCHEMBL24785074 0.90 NR1H2 (0.42) NPBWR1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL30103084 0.90 NR1H2 (0.42) NPBWR1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL24784614 0.87 P2RX7 (0.39) NPBWR1KMT2A
SCHEMBL24785079 0.87 CACNA1H (0.40) BRD4
SCHEMBL30103053 0.87 P2RX7 (0.39) NPBWR1KMT2A

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