SCHEMBL2304830

SCHEMBL2304830

Cc1sc(NC(=O)c2ccc(N3CCN(C(=O)O)CC3)nc2)nc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.58
ADORA3 P0DMS8 7/20 0.57
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX5 P09917 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL2301455 0.93 ADORA3 (0.51) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL3310436 0.93 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL2300926 0.92 ADORA3 (0.59) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL3309522 0.91 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL2363710 0.91 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL2302579 0.90 ADORA3 (0.50) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL2300888 0.90 ADORA3 (0.62) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL2303642 0.90 ADORA3 (0.55) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL3310716 0.89 CKS1B (0.57) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL3311877 0.89 LMNA (0.58) ALDH1A1LMNAKDM4EPOLBADORA3

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