SCHEMBL2301563

SCHEMBL2301563

CCOC(=O)c1ccnc(-c2ccccn2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 9/20 0.65
KDM4E B2RXH2 3/20 0.60
KDM6B O15054 2/20 0.60
KDM5C P41229 2/20 0.60
KDM4C Q9H3R0 2/20 0.60
KDM2A Q9Y2K7 2/20 0.60
KDM3A Q9Y4C1 2/20 0.60
KDM4A O75164 1/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 1/20 0.53
METAP1 P53582 1/20 0.53
PIK3CA P42336 1/20 0.52
POLB P06746 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
CASP1 P29466 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL30614246 1.00 JMJD6 (0.65) JMJD6KDM4EKDM6BKDM5CKDM4C
SCHEMBL30171421 0.91 JMJD6 (0.76) JMJD6KDM4EKDM6BKDM5CKDM4C
SCHEMBL811785 0.91 JMJD6 (0.76) JMJD6KDM4EKDM6BKDM5CKDM4C
SCHEMBL15173427 0.88 NPC1 (0.58) JMJD6KDM4EKDM6BKDM5CKDM4C
SCHEMBL16141971 0.87 JMJD6 (0.61) JMJD6KDM4EKDM6BKDM5CKDM4C
SCHEMBL2388712 0.85 NPC1 (0.58) JMJD6NPC1RAB9AMEN1KMT2A
SCHEMBL29978844 0.85 NPC1 (0.58) JMJD6NPC1RAB9AMEN1KMT2A
SCHEMBL4763680 0.85 JMJD6 (0.67) JMJD6KDM4EKDM6BKDM5CKDM4C
SCHEMBL2688111 0.85 JMJD6 (0.68) JMJD6KDM4EKDM6BKDM5CKDM4C
SCHEMBL1333711 0.85 JMJD6 (0.68) JMJD6KDM4EKDM6BKDM5CKDM4C

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-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed