SCHEMBL9227750

SCHEMBL9227750

CC1(C)Oc2ccc(C#N)cc2[C@H](Nc2ccccc2CCS(C)(=O)=O)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 7/20 0.56
▸ ABCC9 O60706 9/20 0.53
▸ KCNE1 P15382 3/20 0.48
▸ KCNQ1 P51787 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KCND3 Q9UK17 1/20 0.48

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
SCHEMBL9223478 0.87 ABCB1 (0.59) ABCB1ABCC9
SCHEMBL9224765 0.85 ABCB1 (0.57) ABCB1ABCC9
SCHEMBL9223921 0.84 ABCB1 (0.61) ABCB1ABCC9
SCHEMBL9221558 0.80 ABCB1 (0.56) ABCB1ABCC9
SCHEMBL9224832 0.79 ABCC8 (0.53) ABCB1ABCC9
SCHEMBL9224892 0.79 ABCC8 (0.53) ABCB1ABCC9
SCHEMBL9231522 0.79 ABCB1 (0.57) ABCB1ABCC9
SCHEMBL9230006 0.79 ABCC9 (0.53) ABCB1ABCC9
SCHEMBL9223744 0.78 ABCB1 (0.54) ABCB1ABCC9
SCHEMBL4841296 0.78 ABCB1 (0.52) ABCB1ABCC9

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-0648758-A1 4-Arylamino-benzopyran and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-19 — — EP disclosed
Send feedback