SCHEMBL20042715

SCHEMBL20042715

COC(=O)c1nc2c(c(N3CCC3)n1)CN(C(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
F2 P00734 3/20 0.44
GBA1 P04062 1/20 0.42
PRLHR P49683 10/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
ELANE P08246 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
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
SCHEMBL20042751 0.84 HSD17B10 (0.49) HSD17B10GBA1KMT2AMEN1POLB
SCHEMBL20042687 0.83 HSD17B10 (0.51) HSD17B10GBA1KMT2AMEN1POLB
SCHEMBL20042810 0.82 HSD17B10 (0.46) HSD17B10GBA1PRLHRKMT2AMEN1
SCHEMBL20042811 0.82 HSD17B10 (0.60) HSD17B10GBA1KMT2AMEN1POLB
SCHEMBL20042740 0.81 HSD17B10 (0.49) HSD17B10GBA1KMT2AMEN1POLB
SCHEMBL20042711 0.80 HSD17B10 (0.50) HSD17B10GBA1KMT2AMEN1POLB
SCHEMBL20042827 0.79 HSD17B10 (0.46) HSD17B10GBA1PRLHRKMT2AMEN1
SCHEMBL20042719 0.79 HSD17B10 (0.46) HSD17B10GBA1KMT2AMEN1POLB
SCHEMBL20042812 0.79 HSD17B10 (0.46) HSD17B10GBA1PRLHRKMT2AMEN1
SCHEMBL20042980 0.78 LSS (0.50) HSD17B10GBA1PRLHRKMT2AMEN1

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