SCHEMBL9228410

SCHEMBL9228410

CC(C#N)c1ccccc1N[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 11/20 0.58
▸ ABCC9 O60706 8/20 0.55

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
SCHEMBL9223921 0.80 ABCB1 (0.61) ABCB1ABCC9
SCHEMBL11027377 0.80 ABCB1 (0.70) ABCB1ABCC9
SCHEMBL10507350 0.80 ABCB1 (0.70) ABCB1ABCC9
SCHEMBL11027376 0.80 ABCB1 (0.70) ABCB1ABCC9
SCHEMBL10507344 0.80 ABCB1 (0.70) ABCB1ABCC9
SCHEMBL9725013 0.79 ABCC9 (0.58) ABCB1ABCC9
SCHEMBL9725017 0.79 ABCC9 (0.58) ABCB1ABCC9
SCHEMBL9725012 0.79 ABCC9 (0.58) ABCB1ABCC9
SCHEMBL9223478 0.79 ABCB1 (0.59) ABCB1ABCC9
SCHEMBL10644307 0.78 ABCB1 (0.75) 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 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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