SCHEMBL7009822

SCHEMBL7009822

COc1cccc2cc3c(=O)n(C)ccn3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CYP19A1 P11511 1/20 0.41
NQO2 P16083 1/20 0.41
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAPT P10636 2/20 0.37
BRD1 O95696 1/20 0.37
BRPF1 P55201 1/20 0.37
LMNA P02545 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
SCHEMBL7002522 0.80 NQO2 (0.42) CYP19A1NQO2KDM4EALDH1A1PDE3B
SCHEMBL7007859 0.77 BRD4 (0.41) HTR2AHTR2CCYP19A1NQO2HSD17B10
SCHEMBL7004254 0.73 DAO (0.46) HSD17B10KDM4EALDH1A1GAAHPGD
SCHEMBL7003203 0.72 MTNR1A (0.43) HSD17B10ALDH1A1HTTMAPTMEN1
SCHEMBL7003133 0.71 CA2 (0.44) HTR2AHTR2CALDH1A1PDE3BPDE3A
SCHEMBL7002931 0.71 KDM4E (0.46) HTR2AHTR2CHSD17B10KDM4EALDH1A1
SCHEMBL434941 0.70 CYP19A1 (0.56) HTR2AHTR2CCYP19A1NQO2HSD17B10
SCHEMBL7006877 0.70 HTR3E (0.37) HTR2AHTR2CHSD17B10KDM4EALDH1A1
SCHEMBL1092786 0.68 CDK4 (0.45) HTR2AHTR2CCYP19A1NQO2HSD17B10
SCHEMBL1156104 0.67 MAPT (0.50) CYP19A1NQO2KDM4EALDH1A1GAA

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
EP-1200439-B1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES NOVUSPHARMA SPA (IT) 2003-06-25 EP disclosed