SCHEMBL6536990

SCHEMBL6536990

NCCNc1nc(S)nc(S)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.35
▸ CA12 O43570 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30

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
SCHEMBL430482 0.82 CXCR4 (0.40) CXCR4CA12CA9CA3CA4
SCHEMBL13651851 0.78 — —
SCHEMBL2805163 0.76 CYP1A2 (0.47) CA9CA1CA2
SCHEMBL8980538 0.76 KMT2A (0.50) ALDH1A1RECQL
SCHEMBL9528515 0.73 CA9 (0.43) CXCR4CA12CA9CA3CA4
SCHEMBL9528787 0.73 CA1 (0.40) CXCR4CA12CA9CA1CA2
SCHEMBL21527302 0.73 CA12 (0.49) CXCR4CA12CA9CA3CA4
SCHEMBL308286 0.73 SLC29A1 (0.49) CA9ALDH1A1TSHRCA1CA2
SCHEMBL15813011 0.71 CXCR4 (0.35) CXCR4CA12CA9CA3CA4
SCHEMBL16374910 0.71 GAA (0.43) CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108097329-B Hydrocracking catalyst, preparation method and start-up method thereof 中国石油化工股份有限公司 2020-04-14 — — CN disclosed
CN-108097329-A A kind of hydrocracking catalyst and preparation method thereof and start-up method 中国石油化工股份有限公司 2018-06-01 — — CN disclosed
US-6689554-B2 ENHANCED SPEED; SUPPRESSED FOG FUJI PHOTO FILM CO., LTD. (JP) 2004-02-10 — — US disclosed
US-20030207221-A1 Silver halide emulsion and silver halide photographic lightsensitive material FUJI PHOTO FILM CO., LTD. 2003-11-06 — — US disclosed
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