SCHEMBL2301455

SCHEMBL2301455

Cc1ccc(-c2nc(NC(=O)c3ccc(N4CCN(C(=O)O)CC4)nc3)sc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.51
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PLTP P55058 1/20 0.47
MAPT P10636 3/20 0.45
S1PR4 O95977 1/20 0.45
ADRB2 P07550 1/20 0.45
S1PR1 P21453 1/20 0.45
NOD2 Q9HC29 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.43

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
SCHEMBL2304830 0.93 ALDH1A1 (0.58) ADORA3LMNAALDH1A1KDM4EPOLB
SCHEMBL2300888 0.91 ADORA3 (0.62) ADORA3LMNAALDH1A1KDM4EPOLB
SCHEMBL2357114 0.88 TBK1 (0.56) ADORA3LMNAALDH1A1KDM4EPOLB
SCHEMBL3310436 0.87 ALDH1A1 (0.57) ADORA3LMNAALDH1A1KDM4EPOLB
SCHEMBL2302579 0.86 ADORA3 (0.50) ADORA3LMNAALDH1A1KDM4EPOLB
SCHEMBL2300926 0.85 ADORA3 (0.59) ADORA3LMNAALDH1A1KDM4EPOLB
SCHEMBL3309522 0.85 ALDH1A1 (0.59) ADORA3LMNAALDH1A1KDM4EPOLB
SCHEMBL2363710 0.84 ALDH1A1 (0.61) ADORA3LMNAALDH1A1KDM4EPOLB
SCHEMBL2303642 0.84 ADORA3 (0.55) ADORA3LMNAALDH1A1KDM4EPOLB
SCHEMBL2358816 0.83 ADORA3 (0.50) ADORA3LMNAALDH1A1KDM4EPOLB

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