SCHEMBL9150343

SCHEMBL9150343

Cc1cc2oc(=O)c(N)c(-c3ccccc3C)c2cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NQO1 P15559 4/20 0.43
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
KCNA3 P22001 1/20 0.40
MAOB P27338 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9153131 0.89 CYP1A2 (0.43) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL9137004 0.84 ALDH1A1 (0.41) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL9155007 0.79 NQO1 (0.46) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL9150428 0.73 CA12 (0.47) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL14277756 0.69 ESR1 (0.52) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL8784953 0.67 MAOA (0.51) KDM4EALDH1A1CYP1A2CYP2C9L3MBTL1
SCHEMBL31054315 0.67 HEXA (0.47) ALDH1A1CYP1A2L3MBTL1LMNASMN1; SMN2
SCHEMBL9307463 0.66 KDM4E (0.53) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL14134400 0.66 ALDH2 (0.64) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL26767960 0.66 MAPK1 (0.58) GAAKDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514546-B1 CHROMENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-01-04 EP disclosed
US-5278186-A Substituted with secondary amide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-01-11 US disclosed
EP-0514546-A1 CHROMENE DERIVATIVES, THEIR PRODUCTION AND USE. TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-11-25 EP disclosed
WO-1991012249-A1 CHROMENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-22 WO disclosed