SCHEMBL13679662

SCHEMBL13679662

CCNc1ccc(-c2[nH]c(-c3ccc(/C=C/COCC)cc3)nc2-c2ccc(N(C)C(C)C)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.69
▸ NOX1 Q9Y5S8 2/20 0.39
▸ ALOX5 P09917 5/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ MAPK13 O15264 2/20 0.32
▸ MAPK12 P53778 2/20 0.32
▸ MAPK11 Q15759 2/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ BRAF P15056 3/20 0.32
▸ GCGR P47871 1/20 0.32
▸ SELP P16109 2/20 0.31
▸ SELE P16581 1/20 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
SCHEMBL13679716 0.91 ABCB1 (0.84) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL3829640 0.87 ABCB1 (0.91) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL13679717 0.87 ABCB1 (0.91) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL6625154 0.83 ABCB1 (0.69) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL3828912 0.83 ABCB1 (0.69) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL3826448 0.82 ABCB1 (1.00) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL719051 0.82 ABCB1 (0.74) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL719050 0.82 ABCB1 (1.00) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL30357745 0.80 ABCB1 (0.87) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL4442601 0.80 ABCB1 (0.68) ABCB1NOX1ALOX5PTPN1MAPT

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
EP-0999835-B1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS TAIJI BIOMEDICAL INC (US) 2009-09-09 — — EP disclosed
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