SCHEMBL13295457

SCHEMBL13295457

CCCCCCCCCCCCCCCCCCNc1ccc2c(-c3ccccc3C(=O)O)c3cc/c(=N\C)cc-3oc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.41
▸ USP2 O75604 3/20 0.40
▸ CFTR P13569 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ GOPC Q9HD26 1/20 0.40
▸ FTO Q9C0B1 2/20 0.39
▸ PLK1 P53350 3/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ BRCA1 P38398 1/20 0.36
▸ HTT P42858 1/20 0.36

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 0.94 PTPN11 (0.40) ABCB1USP2CFTRPAX8ATM
SCHEMBL13295456 0.92 ABCB1 (0.40) ABCB1USP2CFTRPAX8ATM
SCHEMBL13311410 0.89 ABCB1 (0.42) ABCB1USP2CFTRPAX8ATM
SCHEMBL12056733 0.89 ABCB1 (0.42) ABCB1USP2CFTRPAX8ATM
SCHEMBL13295473 0.86 PTPN11 (0.39) ABCB1USP2CFTRPAX8ATM
Perchlorate SCHEMBL9638286 0.85 ABCB1 (0.40) ABCB1USP2CFTRPAX8ATM
SCHEMBL609855 0.84 ABCB1 (0.45) ABCB1USP2CFTRPAX8ATM
SCHEMBL12697372 0.84 ABCB1 (0.45) ABCB1USP2CFTRPAX8ATM
SCHEMBL6056016 0.84 ABCB1 (0.45) ABCB1USP2CFTRPAX8ATM
SCHEMBL6056220 0.82 ABCB1 (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 2 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
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