SCHEMBL14747448

SCHEMBL14747448

Cc1ccc2c(c1)C(C)(C)/C(=C\C=C\C=C\c1sc3cc(S(=O)(=O)N(C)C)ccc3[n+]1C)N2CCCCCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.37
▸ HRH2 P25021 9/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ CXCR4 P61073 1/20 0.34
▸ KIFC1 Q9BW19 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HRH1 P35367 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 0.93 CXCR4 (0.39) FOLH1HRH2PTPN1CXCR4KIFC1
SCHEMBL14747442 0.88 ADORA1 (0.37) FOLH1HRH2PTPN1CXCR4KIFC1
SCHEMBL14747449 0.86 PTPN1 (0.44) FOLH1HRH2PTPN1HRH3CHRM2
SCHEMBL14747435 0.85 LMNA (0.38) FOLH1HRH2PTPN1CXCR4NPC1
SCHEMBL10118452 0.82 ADORA1 (0.37) FOLH1HRH2PTPN1CXCR4KIFC1
SCHEMBL1105687 0.80 PTPN1 (0.44) FOLH1HRH2PTPN1CXCR4HRH3
SCHEMBL14747683 0.79 PTPN1 (0.37) FOLH1PTPN1CXCR4CHRM2CHRM4
SCHEMBL1105638 0.79 MAPT (0.39) HRH2PTPN1CXCR4KIFC1CHRM2
SCHEMBL14747444 0.78 PTPN1 (0.41) FOLH1HRH2PTPN1CXCR4HRH3
SCHEMBL15827290 0.78 ADORA1 (0.38) FOLH1HRH2PTPN1CXCR4KIFC1

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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