SCHEMBL6977232

SCHEMBL6977232

NCCCNCC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.47
CASP2 P42575 2/20 0.46
CA12 O43570 2/20 0.46
F13A1 P00488 2/20 0.46
CA2 P00918 2/20 0.46
CYP1A2 P05177 2/20 0.46
ALOX15 P16050 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
THPO P40225 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL10936950 0.98 SIGMAR1 (0.48) SAT1CASP2CA12F13A1CA2
SCHEMBL6974114 0.98 SIGMAR1 (0.48) SAT1CASP2CA12F13A1CA2
SCHEMBL19473289 0.94 SAT1 (0.52) SAT1CASP2CA12F13A1CA2
SCHEMBL6965416 0.93 SIGMAR1 (0.48) SAT1CASP2CA12F13A1CA2
SCHEMBL6970039 0.91 SIGMAR1 (0.52) SAT1CASP2CA12F13A1CA2
SCHEMBL16382266 0.91
SCHEMBL11588125 0.91 SAT1 (0.56) SAT1CASP2CA12F13A1CA2
SCHEMBL6963827 0.91 SAT1 (0.45) SAT1CA12CA2ALOX15CA4
SCHEMBL21799651 0.90 SIGMAR1 (0.55) SAT1CA12F13A1CA2CYP1A2
SCHEMBL21799693 0.90 SIGMAR1 (0.55) SAT1CA12F13A1CA2CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed