SCHEMBL9691273

SCHEMBL9691273

CC(=O)O[C@@H]1[C@@H](NC(=N)Nc2ccccc2)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 9/20 0.49
▸ ABCB1 P08183 9/20 0.48
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.45

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
SCHEMBL9271120 0.91 ABCC9 (0.51) ABCC9ABCB1CYP3A4ALOX15
SCHEMBL9429629 0.91 ABCC9 (0.51) ABCC9ABCB1CYP3A4ALOX15
SCHEMBL9429622 0.91 ABCC9 (0.51) ABCC9ABCB1CYP3A4ALOX15
SCHEMBL8611166 0.86 ABCB1 (0.53) ABCC9ABCB1CYP3A4ALOX15
SCHEMBL8615119 0.86 ABCB1 (0.53) ABCC9ABCB1CYP3A4ALOX15
SCHEMBL8612374 0.86 ABCB1 (0.53) ABCC9ABCB1CYP3A4ALOX15
SCHEMBL10887438 0.84 ABCC9 (0.61) ABCC9ABCB1
SCHEMBL10887243 0.84 ABCC9 (0.61) ABCC9ABCB1
SCHEMBL9197704 0.80 ABCC9 (0.53) ABCC9ABCB1
SCHEMBL9197710 0.80 ABCC9 (0.53) ABCC9ABCB1

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
US-5140031-A Pyranyl cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1992-08-18 — — US claimed
US-5140031-A Pyranyl cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1992-08-18 — — US disclosed
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