SCHEMBL14743641

SCHEMBL14743641

COC(=O)c1cc(N(C)C(=O)c2cnccn2)c2c(Cl)cc(Cl)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
GPBAR1 Q8TDU6 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
USP2 O75604 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL14743590 0.88 GPBAR1 (0.40) GPBAR1KMT2AMEN1TSHRHSD17B10
SCHEMBL14743289 0.85 ALDH1A1 (0.49) RAB9AGPBAR1L3MBTL1HSD17B10NPC1
SCHEMBL14743988 0.85 HTT (0.39) RAB9AGPBAR1KMT2AMEN1NPC1
SCHEMBL14744024 0.84 GPBAR1 (0.42) GPBAR1MRGPRX4
SCHEMBL14743756 0.84 GPBAR1 (0.46) GPBAR1L3MBTL1KMT2A
SCHEMBL14743624 0.82 GPBAR1 (0.38) GPBAR1L3MBTL1MRGPRX4HPGD
SCHEMBL14743979 0.80 TSHR (0.42) RAB9AGPBAR1L3MBTL1KMT2AMEN1
SCHEMBL14743807 0.77 HPGDS (0.40) RAB9AGPBAR1L3MBTL1MRGPRX4TSHR
SCHEMBL14743489 0.74 GAA (0.41) RAB9AGPBAR1L3MBTL1KMT2ATSHR
SCHEMBL14743613 0.73 SENP1 (0.44) RAB9AL3MBTL1KMT2AMEN1POLB

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-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 WO disclosed