SCHEMBL14747442

SCHEMBL14747442

C=C(O)CCCCCN1/C(=C/C=C/C=C/c2sc3cc(S(=O)(=O)N(C)C)ccc3[n+]2C)C(C)(C)c2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.37
▸ CXCR4 P61073 1/20 0.37
▸ KIFC1 Q9BW19 1/20 0.36
▸ FOLH1 Q04609 2/20 0.36
▸ HRH1 P35367 3/20 0.35
▸ CHRM1 P11229 3/20 0.35
▸ CHRM3 P20309 3/20 0.35
▸ CHRM2 P08172 2/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ CHRM5 P08912 2/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ HRH2 P25021 8/20 0.33
▸ MLNR O43193 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ DRD2 P14416 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
SCHEMBL10118448 0.95 CXCR4 (0.39) ADORA1CXCR4KIFC1FOLH1HRH1
SCHEMBL14747448 0.88 FOLH1 (0.37) ADORA1CXCR4KIFC1FOLH1HRH1
SCHEMBL10118452 0.88 ADORA1 (0.37) ADORA1CXCR4KIFC1FOLH1HRH1
SCHEMBL14747440 0.86 PTPN1 (0.44) ADORA1CXCR4FOLH1HRH1CHRM1
SCHEMBL1105687 0.81 PTPN1 (0.44) ADORA1CXCR4FOLH1HRH1CHRM1
SCHEMBL14747683 0.81 PTPN1 (0.37) ADORA1CXCR4FOLH1CHRM1CHRM3
SCHEMBL1105638 0.81 MAPT (0.39) ADORA1CXCR4KIFC1HRH1CHRM1
SCHEMBL15827290 0.79 ADORA1 (0.38) ADORA1CXCR4KIFC1FOLH1HRH1
SCHEMBL14747451 0.79 PTPN1 (0.42) ADORA1CXCR4FOLH1HRH1CHRM1
SCHEMBL13165210 0.78 PTPN1 (0.39) ADORA1CXCR4FOLH1HRH1CHRM1

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-8389729-B2 Methods for detecting the presence, location or quantity of targets using novel dyes ENZO LIFE SCIENCES, INC. (US) 2013-03-05 — — US disclosed
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