SCHEMBL27397243

SCHEMBL27397243

CC1(C)Oc2ccc(C#N)cc2C(N(Cc2ccco2)c2ncco2)C1O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCC8 Q09428 1/20 0.53
▸ KCNJ11 Q14654 1/20 0.53
▸ ABCB1 P08183 9/20 0.52
▸ KCNE1 P15382 4/20 0.50
▸ KCNQ1 P51787 4/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KCND3 Q9UK17 1/20 0.50
▸ ALOX15 P16050 1/20 0.47
▸ ABCC9 O60706 1/20 0.46

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
SCHEMBL8612556 1.00 ABCC8 (0.53) ABCC8KCNJ11ABCB1KCNE1KCNQ1
SCHEMBL9228458 1.00 ABCC8 (0.53) ABCC8KCNJ11ABCB1KCNE1KCNQ1
SCHEMBL8616445 0.91 ABCC8 (0.54) ABCC8KCNJ11ABCB1KCNE1KCNQ1
SCHEMBL9228326 0.91 ABCC8 (0.54) ABCC8KCNJ11ABCB1KCNE1KCNQ1
SCHEMBL9228379 0.88 ABCC8 (0.50) ABCC8KCNJ11ABCB1KCNE1KCNQ1
SCHEMBL8612599 0.88 ABCC8 (0.50) ABCC8KCNJ11ABCB1KCNE1KCNQ1
SCHEMBL27430444 0.86 ABCB1 (0.49) ABCC8KCNJ11ABCB1KCNE1KCNQ1
SCHEMBL8612561 0.86 ABCB1 (0.49) ABCC8KCNJ11ABCB1KCNE1KCNQ1
SCHEMBL9221561 0.86 ABCB1 (0.58) ABCC8KCNJ11ABCB1KCNE1KCNQ1
SCHEMBL9221568 0.86 ABCB1 (0.58) ABCC8KCNJ11ABCB1KCNE1KCNQ1

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
CN-1107473-A 4-Arylamino-benzopyran and related compounds BRISTOL MYERS SQUIBB CO (US) 1995-08-30 — — CN disclosed
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