SCHEMBL8208014

SCHEMBL8208014

CNC(=O)c1nc2ccc(C)cc2c(-c2ccccc2)c1CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.45
KLK7 P49862 1/20 0.45
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 1/20 0.43
RAB9A P51151 1/20 0.43
CASP7 P55210 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIM1 P11309 1/20 0.42
DHODH Q02127 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7650722 0.80 CTNNB1 (0.41) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL28156609 0.74 ALDH1A1 (0.52) KDM4EKLK7ALDH1A1HSD17B10GAA
SCHEMBL29660570 0.71 KDM4E (0.57) KDM4EALDH1A1HSD17B10RAB9AL3MBTL1
SCHEMBL4596211 0.71 KDM4E (0.57) KDM4EALDH1A1HSD17B10RAB9AL3MBTL1
SCHEMBL14917040 0.70 FABP4 (0.67) KDM4EALDH1A1GAAL3MBTL1DHODH
SCHEMBL5177389 0.69 KDM4E (0.52) KDM4EKLK7ALDH1A1HSD17B10MAPK1
SCHEMBL2825174 0.68 ALDH1A1 (0.76) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL27971255 0.68 KDM4E (0.48) KDM4EKLK7ALDH1A1HSD17B10GAA
SCHEMBL7655588 0.68 PLA2G2A (0.45) KDM4EALDH1A1HSD17B10HPGDDHODH
SCHEMBL18222218 0.68 FABP4 (0.51) KDM4EALDH1A1GAAL3MBTL1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975621-A1 CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
WO-1998049155-A1 CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed