SCHEMBL13295473

SCHEMBL13295473

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCCC/N=c1\ccc2c(-c3ccccc3C(=O)O)c3ccc(NCCCOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)cc3oc-2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ CFTR P13569 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ GOPC Q9HD26 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ FTO Q9C0B1 2/20 0.35
▸ CA12 O43570 4/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ TGM2 P21980 1/20 0.34
▸ FKBP1A P62942 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ FABP4 P15090 2/20 0.34
▸ FABP5 Q01469 2/20 0.34

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
SCHEMBL13295474 0.92 PTPN11 (0.40) PTPN11ABCB1USP2CFTRPAX8
SCHEMBL13295456 0.92 ABCB1 (0.40) PTPN11ABCB1USP2CFTRPAX8
SCHEMBL13311410 0.91 ABCB1 (0.42) ABCB1USP2CFTRPAX8ATM
SCHEMBL12056733 0.91 ABCB1 (0.42) ABCB1USP2CFTRPAX8ATM
SCHEMBL13295457 0.86 ABCB1 (0.41) PTPN11ABCB1USP2CFTRPAX8
SCHEMBL6056224 0.80 ABCB1 (0.43) ABCB1USP2CFTRPAX8ATM
SCHEMBL12056738 0.80 ABCB1 (0.43) ABCB1USP2CFTRPAX8ATM
SCHEMBL6056220 0.80 ABCB1 (0.43) ABCB1USP2CFTRPAX8ATM
SCHEMBL10595794 0.80 FPR2 (0.41) ABCB1USP2CFTRPAX8ATM
Hydrochloric Acid SCHEMBL28449515 0.80 USP2 (0.43) ABCB1USP2CFTRPAX8ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 — — US disclosed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 — — US disclosed
US-7301025-B2 N-(2-(2-(alkyl[carbamoyl, carbonyloxy or ureido]alkyl)pyridinium)-5-(carboxy or sulfo)phenyl-8-((2-(N-alkyl[carbamoyl or ureido]alkyl)pyridinyl) xanthene ligands complexed with a metal or metal-containing moiety; magenta dye with improved heat resistance; hot melts or phase change inks XEROX CORPORATION (US) 2007-11-27 — — US disclosed
US-7176317-B2 Colorant compounds XEROX CORPORATION (US) 2007-02-13 — — US disclosed
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