SCHEMBL6967853

SCHEMBL6967853

NCNCCCCC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.57
CYP1A2 P05177 1/20 0.45
TNKS2 Q9H2K2 1/20 0.38
EPHX1 P07099 2/20 0.38
KDM5A P29375 2/20 0.36
PHF8 Q9UPP1 2/20 0.36
KDM2A Q9Y2K7 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM4A O75164 1/20 0.36
RAD52 P43351 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL6974143 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2TNKS2EPHX1KDM5A
SCHEMBL6971637 0.94 SIGMAR1 (0.54) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL6967478 0.91 SIGMAR1 (0.50) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL6962216 0.89 SIGMAR1 (0.42) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL6975316 0.88 SIGMAR1 (0.63) SIGMAR1CYP1A2
SCHEMBL6975735 0.86 SIGMAR1 (0.73) SIGMAR1CYP1A2RAD52
SCHEMBL6976520 0.86 SIGMAR1 (0.67) SIGMAR1CYP1A2
SCHEMBL6966065 0.85 SIGMAR1 (0.59) SIGMAR1CYP1A2
SCHEMBL6975777 0.85 SIGMAR1 (0.46) SIGMAR1CYP1A2EPHX1KDM1AMAOA
SCHEMBL6975149 0.83 SIGMAR1 (0.63) SIGMAR1CYP1A2

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