SCHEMBL9230449

SCHEMBL9230449

CC1(C)Oc2ccc(C#N)cc2[C@H](N(CCc2ccccn2)c2nc3ccccc3o2)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 8/20 0.48
▸ ABCC8 Q09428 1/20 0.48
▸ KCNJ11 Q14654 1/20 0.48
▸ KCNE1 P15382 4/20 0.45
▸ KCNQ1 P51787 4/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KCND3 Q9UK17 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ABCC9 O60706 2/20 0.41

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
SCHEMBL9228570 0.92 ABCC8 (0.49) ABCB1ABCC8KCNJ11KCNE1KCNQ1
SCHEMBL8611530 0.92 ABCC8 (0.49) ABCB1ABCC8KCNJ11KCNE1KCNQ1
SCHEMBL8614264 0.83 CYP3A4 (0.53) ABCB1ABCC8KCNJ11KCNE1KCNQ1
SCHEMBL9226378 0.81 ABCB1 (0.48) ABCB1ABCC8KCNJ11KCNE1KCNQ1
SCHEMBL9226389 0.81 ABCB1 (0.48) ABCB1ABCC8KCNJ11KCNE1KCNQ1
SCHEMBL8615308 0.81 ABCB1 (0.47) ABCB1ABCC8KCNJ11KCNE1KCNQ1
SCHEMBL9225070 0.81 ABCB1 (0.47) ABCB1ABCC8KCNJ11KCNE1KCNQ1
SCHEMBL8612561 0.81 ABCB1 (0.49) ABCB1ABCC8KCNJ11KCNE1KCNQ1
SCHEMBL27430444 0.81 ABCB1 (0.49) ABCB1ABCC8KCNJ11KCNE1KCNQ1
SCHEMBL27480331 0.81 ABCB1 (0.47) ABCB1KCNE1KCNQ1CYP3A4MEN1

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