SCHEMBL9193402

SCHEMBL9193402

CCCC(=NC#N)NC1c2cc(C#N)ccc2OC(C)(C)C1O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 9/20 0.60
▸ ABCB1 P08183 7/20 0.56
▸ KCNE1 P15382 3/20 0.51
▸ KCNQ1 P51787 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KCND3 Q9UK17 1/20 0.51

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
SCHEMBL9193390 1.00 ABCC9 (0.60) ABCC9ABCB1KCNE1KCNQ1MEN1
SCHEMBL9193387 1.00 ABCC9 (0.60) ABCC9ABCB1KCNE1KCNQ1MEN1
SCHEMBL9193380 1.00 ABCC9 (0.60) ABCC9ABCB1KCNE1KCNQ1MEN1
SCHEMBL9193405 1.00 ABCC9 (0.60) ABCC9ABCB1KCNE1KCNQ1MEN1
SCHEMBL9742591 0.94 ABCC9 (0.58) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9397146 0.94 ABCC9 (0.58) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9742596 0.94 ABCC9 (0.58) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9397108 0.93 ABCC9 (0.57) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9393240 0.92 ABCC9 (0.56) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9195786 0.92 ABCC9 (0.62) ABCC9ABCB1KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0389861-B1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-23 — — EP disclosed
US-5095016-A Hypotensive KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 — — US disclosed
EP-0389861-A1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-03 — — EP disclosed
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