SCHEMBL6971369

SCHEMBL6971369

CCCCN(CN)CCC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
DNM1 Q05193 9/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
EPHX1 P07099 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
SCHEMBL2883512 0.94 MAPT (0.41) MAPTDNM1CA12CA1CA9
SCHEMBL2883935 0.88
SCHEMBL5172092 0.83
SCHEMBL28741218 0.83 DNM1 (0.57) DNM1CA12CA1CA9MEN1
SCHEMBL18432546 0.82 ALDH1A1 (0.39) MAPTDNM1CA12CA1CA9
SCHEMBL19593410 0.82 DNM1 (0.36) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL26460962 0.82 LCK (0.45) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL10251070 0.82
SCHEMBL218572 0.82 CA12 (0.42) MAPTDNM1CA12CA1CA9
SCHEMBL219200 0.82 CA12 (0.42) MAPTDNM1CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017014601-A1 INDOLIZINO [3,2-C] QUINOLINE-BASED FLUORESCENT PROBE 서울대학교 산학협력단 2017-01-26 WO disclosed
WO-2007117180-A1 AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) 2007-10-18 WO disclosed
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