SCHEMBL6826342

SCHEMBL6826342

Cc1ccc(C(=O)c2ccc(O)c(-c3cc(Cl)nc(N)n3)c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B14 Q9BPX1 1/20 0.37
HSP90AA1 P07900 7/20 0.37
HSP90AB1 P08238 6/20 0.37
AGPAT2 O15120 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 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
SCHEMBL6824603 0.85 MAPT (0.39) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL6823658 0.85 HSD17B14 (0.36) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL6824582 0.85 CYP46A1 (0.39) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL6823630 0.84 CDK1 (0.49) HSD17B14CDK1CDK2
SCHEMBL6921921 0.83 CDK1 (0.34) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL6920876 0.83 KMT2A (0.33) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL6824731 0.82 ALDH1A1 (0.39) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL6824730 0.82 CDK1 (0.42) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL6824771 0.81 CDK1 (0.38) KMT2AMEN1ALDH1A1CYP2D6CYP2C19
SCHEMBL6824151 0.81 IKBKB (0.34) KMT2AMEN1MAPTHTTALDH1A1

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
WO-2004080979-A1 NOVEL 3-(2-AMINO-4-PYRIMIDINYL)-4-HYDROXYPHENYL KETONE DERIVATIVES LG LIFE SCIENCES LTD. (KR) 2004-09-23 WO disclosed