SCHEMBL20042810

SCHEMBL20042810

COCc1nc2c(c(N3CCC3)n1)CN(C(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
GBA1 P04062 3/20 0.41
PRLHR P49683 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDK1 P06493 1/20 0.40
IGF1R P08069 1/20 0.40
FGFR1 P11362 1/20 0.40
BRAF P15056 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40

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
SCHEMBL20042740 0.89 HSD17B10 (0.49) HSD17B10KMT2AMEN1GBA1ALDH1A1
SCHEMBL20042711 0.87 HSD17B10 (0.50) HSD17B10KMT2AMEN1GBA1ALDH1A1
SCHEMBL20042980 0.86 LSS (0.50) HSD17B10KMT2AMEN1GBA1PRLHR
SCHEMBL20042751 0.83 HSD17B10 (0.49) HSD17B10KMT2AMEN1GBA1ALDH1A1
SCHEMBL20042687 0.82 HSD17B10 (0.51) HSD17B10KMT2AMEN1GBA1ALDH1A1
SCHEMBL20042715 0.82 HSD17B10 (0.45) HSD17B10KMT2AMEN1GBA1PRLHR
SCHEMBL20042811 0.82 HSD17B10 (0.60) HSD17B10KMT2AMEN1GBA1ALDH1A1
SCHEMBL20042719 0.80 HSD17B10 (0.46) HSD17B10KMT2AMEN1GBA1MAPT
SCHEMBL20042827 0.78 HSD17B10 (0.46) HSD17B10KMT2AMEN1GBA1PRLHR
SCHEMBL20042812 0.78 HSD17B10 (0.46) HSD17B10KMT2AMEN1GBA1PRLHR

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-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed