SCHEMBL1497050

SCHEMBL1497050

Nc1cscc1NC(=O)c1ccc(C(CCCN2CCOCC2)NC(=O)NCCCc2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.40
TACR2 P21452 6/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 2/20 0.39
EPHX2 P34913 4/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1497209 0.96 ALDH1A1 (0.41) ALDH1A1GAAL3MBTL1POLBTACR2
SCHEMBL1482240 0.95 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1POLBTACR2
SCHEMBL1497166 0.93 ALDH1A1 (0.41) ALDH1A1GAAL3MBTL1POLBTACR2
SCHEMBL2383602 0.89 MAPT (0.43) ALDH1A1GAAL3MBTL1POLBTACR2
SCHEMBL1497011 0.88 SIGMAR1 (0.41) ALDH1A1GAATACR2LMNAMAPT
SCHEMBL1496898 0.88 HDAC3 (0.38) ALDH1A1TACR2HIF1AEPHX2KDM4E
SCHEMBL1482270 0.87 SMN1; SMN2 (0.36) ALDH1A1GAAL3MBTL1HTTLMNA
SCHEMBL4234597 0.87 MAPT (0.43) ALDH1A1GAAL3MBTL1POLBTACR2
SCHEMBL1497026 0.87 POLB (0.45) ALDH1A1GAAL3MBTL1POLBTACR2
SCHEMBL4229423 0.86 MAPT (0.42) ALDH1A1GAAL3MBTL1POLBTACR2

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-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed