SCHEMBL30103044

SCHEMBL30103044

COC(=O)c1cc(Cl)cc2cnn(Cc3ccc(-c4ccccc4)cn3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.40
ACLY P53396 2/20 0.39
CHRM5 P08912 1/20 0.39
PLA2G2A P14555 2/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CNR1 P21554 1/20 0.38
GRM2 Q14416 1/20 0.37
SRC P12931 1/20 0.37
SGK1 O00141 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX5AP P20292 1/20 0.36
NPBWR1 P48145 1/20 0.36
NR4A2 P43354 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
SCHEMBL24785362 1.00 AXL (0.40) AXLACLYCHRM5PLA2G2ASLC6A4
SCHEMBL30843297 0.89 NPBWR1 (0.44) ACLYPLA2G2ASLC6A4SLC6A3CNR1
SCHEMBL30103098 0.89 DHODH (0.41) ACLYCHRM5GRM2SRC
SCHEMBL24785361 0.89 DHODH (0.41) ACLYCHRM5GRM2SRC
SCHEMBL21458333 0.89 NPBWR1 (0.44) ACLYPLA2G2ASLC6A4SLC6A3CNR1
SCHEMBL24785022 0.87 PLA2G2A (0.40) PLA2G2ASLC6A4SLC6A3CNR1KDM4E
SCHEMBL30103125 0.87 PLA2G2A (0.40) PLA2G2ASLC6A4SLC6A3CNR1KDM4E
SCHEMBL24784624 0.86 CACNA1H (0.39) ACLYPLA2G2AGRM2
SCHEMBL30103038 0.86 CACNA1H (0.39) ACLYPLA2G2AGRM2
SCHEMBL24785432 0.85 MCHR1 (0.36) PLA2G2AKDM4EMEN1LMNAKMT2A

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