SCHEMBL15827290

SCHEMBL15827290

CN(C)S(=O)(=O)c1ccc2nc(/C=C/C=C/C=C3/N(CCCCCC(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.38
▸ CXCR4 P61073 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ FOLH1 Q04609 2/20 0.36
▸ KIFC1 Q9BW19 1/20 0.36
▸ CHRM1 P11229 4/20 0.34
▸ CHRM3 P20309 4/20 0.34
▸ CHRM2 P08172 3/20 0.34
▸ CHRM4 P08173 3/20 0.34
▸ CHRM5 P08912 3/20 0.34
▸ HRH2 P25021 4/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ADORA3 P0DMS8 2/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ MLNR O43193 1/20 0.33
▸ NR1I2 O75469 1/20 0.33

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
SCHEMBL15827270 0.86 MEN1 (0.41) ADORA1CXCR4PTPN1MEN1KMT2A
SCHEMBL10118448 0.84 CXCR4 (0.39) ADORA1CXCR4PTPN1FOLH1KIFC1
SCHEMBL1105687 0.79 PTPN1 (0.44) ADORA1CXCR4PTPN1FOLH1CHRM1
SCHEMBL14747442 0.79 ADORA1 (0.37) ADORA1CXCR4PTPN1FOLH1KIFC1
SCHEMBL15137499 0.78 ADORA1 (0.41) ADORA1CXCR4PTPN1FOLH1KIFC1
SCHEMBL15137483 0.78 ADORA1 (0.41) ADORA1CXCR4PTPN1FOLH1KIFC1
SCHEMBL29412921 0.78 ADORA1 (0.41) ADORA1CXCR4PTPN1FOLH1KIFC1
SCHEMBL14747448 0.78 FOLH1 (0.37) ADORA1CXCR4PTPN1FOLH1KIFC1
SCHEMBL14747683 0.77 PTPN1 (0.37) ADORA1CXCR4PTPN1FOLH1CHRM1
SCHEMBL26319347 0.76 PTPN1 (0.39) ADORA1CXCR4PTPN1FOLH1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759526-B2 Dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes—useful or detection or quantification of desirable target molecules ENZO LIFE SCIENCES, INC. (US) 2014-06-24 — — US disclosed
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