SCHEMBL14372001

SCHEMBL14372001

CNc1nc(Nc2ccc(SOC(=O)CSOOO)cc2)nc(-[n+]2cccc(C(=O)O)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.33
▸ RHOA P61586 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CA12 O43570 2/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA9 Q16790 2/20 0.30
▸ CA14 Q9ULX7 2/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA13 Q8N1Q1 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
SCHEMBL14372038 0.74 FUT8 (0.33) —
SCHEMBL14400314 0.71 CA1 (0.40) HTTRHOANPC1RAB9ASMN1; SMN2
SCHEMBL13647457 0.67 MEN1 (0.41) HTTKDM4EALDH1A1CA12CA1
SCHEMBL14371999 0.66 MAPT (0.48) HTTSMN1; SMN2ALDH1A1CA12CA1
SCHEMBL4683156 0.65 NPC1 (0.54) RHOANPC1RAB9ASMN1; SMN2
SCHEMBL14445565 0.64 CA12 (0.41) HTTSMN1; SMN2KDM4EALDH1A1MAPK1
Sulfuric Acid SCHEMBL6649372 0.62 NPC1 (0.48) RHOANPC1RAB9ASMN1; SMN2CA12
Sulfuric Acid SCHEMBL5573388 0.61 NPC1 (0.47) RHOANPC1RAB9ASMN1; SMN2CA12
Sulfuric Acid SCHEMBL2594113 0.61 NPC1 (0.47) RHOANPC1RAB9ASMN1; SMN2CA12
SCHEMBL4683146 0.60 NPC1 (0.48) RHOANPC1RAB9ASMN1; SMN2

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-7282070-B2 Reactive dye composition and the use thereof EVERLIGHT USA, INC. (US) 2007-10-16 — — US disclosed
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