SCHEMBL2228136

SCHEMBL2228136

CCCCCc1ccc(Nc2cnc(-c3ccc4c(c3)C(=O)N(C(C(=O)O)C(C)C)C4)cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 3/20 0.36
SDC2 P34741 3/20 0.36
MAPK1 P28482 8/20 0.36
VHL P40337 6/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK3 P27361 1/20 0.35
LMNA P02545 1/20 0.33

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
SCHEMBL2284780 1.00 SDCBP (0.36) SDCBPSDC2MAPK1VHLNPC1
SCHEMBL2276572 0.91 SMN1; SMN2 (0.41) SDCBPSDC2MAPK1VHLNPC1
SCHEMBL13572379 0.91 SDCBP (0.38) SDCBPSDC2MAPK1VHLLMNA
SCHEMBL2178926 0.89 NPC1 (0.38) SDCBPSDC2NPC1NFKB1RAB9A
SCHEMBL2178932 0.89 NPC1 (0.38) SDCBPSDC2NPC1NFKB1RAB9A
SCHEMBL2283333 0.88 SDCBP (0.36) SDCBPSDC2MAPK1VHLLMNA
SCHEMBL2181260 0.85 TRPV1 (0.42) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL13719176 0.85 TRPV1 (0.42) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2271028 0.83 RARB (0.43) SDCBPSDC2VHLLMNA
SCHEMBL2178354 0.81 GCK (0.38) SDCBPSDC2

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-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO disclosed