SCHEMBL2889456

SCHEMBL2889456

CC1(C)Oc2cc(NS(C)(=O)=O)ccc2C(NCCc2ccccc2)C1O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.47
ABCB1 P08183 3/20 0.43
OPRM1 P35372 2/20 0.41
IDO1 P14902 1/20 0.41
NR3C1 P04150 1/20 0.38

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
SCHEMBL2889459 1.00 KCNA5 (0.47) KCNA5ABCB1OPRM1IDO1NR3C1
Maleic Acid SCHEMBL2889017 0.94 KCNA5 (0.44) KCNA5ABCB1OPRM1IDO1
Maleic Acid SCHEMBL2889020 0.94 KCNA5 (0.44) KCNA5ABCB1OPRM1IDO1
Fumaric Acid SCHEMBL2889022 0.94 KCNA5 (0.44) KCNA5ABCB1OPRM1IDO1
SCHEMBL2887577 0.91 KCNA5 (0.48) KCNA5ABCB1IDO1NR3C1
Hydrochloric Acid SCHEMBL2891525 0.90 KCNA5 (0.47) KCNA5ABCB1IDO1NR3C1
SCHEMBL2883892 0.88 KCNA5 (0.46) KCNA5ABCB1IDO1
SCHEMBL2887648 0.88 KCNA5 (0.50) KCNA5ABCB1IDO1
SCHEMBL2887607 0.87 KCNA5 (0.57) KCNA5
SCHEMBL2891532 0.86 ABCB1 (0.47) KCNA5ABCB1IDO1

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
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed