SCHEMBL14747683

SCHEMBL14747683

CN(C)S(=O)(=O)c1ccc2c(c1)sc(/C=C/C=C1/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[n+]2CCCC[SH](=O)=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.37
▸ FOLH1 Q04609 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PRMT1 Q99873 3/20 0.33
▸ CXCR4 P61073 1/20 0.33
▸ CHRM1 P11229 4/20 0.33
▸ CHRM2 P08172 3/20 0.33
▸ CHRM4 P08173 3/20 0.33
▸ CHRM5 P08912 3/20 0.33
▸ CHRM3 P20309 3/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ ADORA1 P30542 3/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ NPY4R P50391 2/20 0.31

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
SCHEMBL1105687 0.93 PTPN1 (0.44) PTPN1FOLH1NPC1USP2MTOR
SCHEMBL14708694 0.90 PTPN1 (0.35) PTPN1FOLH1NPC1USP2MTOR
SCHEMBL14747440 0.88 PTPN1 (0.44) PTPN1FOLH1NPC1USP2MTOR
SCHEMBL14747449 0.88 PTPN1 (0.44) PTPN1FOLH1NPC1USP2MTOR
SCHEMBL10118448 0.86 CXCR4 (0.39) PTPN1FOLH1CXCR4CHRM1CHRM2
SCHEMBL1105707 0.83 PTPN1 (0.41) PTPN1FOLH1CXCR4CHRM1CHRM2
SCHEMBL1105643 0.83 PTPN1 (0.44) PTPN1NPC1USP2MTORRAB9A
SCHEMBL13165210 0.81 PTPN1 (0.39) PTPN1FOLH1CXCR4CHRM1CHRM2
SCHEMBL14747442 0.81 ADORA1 (0.37) PTPN1FOLH1CXCR4CHRM1CHRM2
SCHEMBL1105706 0.81 PTPN1 (0.42) PTPN1FOLH1CXCR4CHRM1CHRM2

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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