SCHEMBL28320109

SCHEMBL28320109

CC(C)CCS(=O)(=O)Nc1cccc(C(=O)O)c1F

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.55
FABP4 P15090 1/20 0.46
BRAF P15056 2/20 0.42
ACLY P53396 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C9 P11712 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
SCHEMBL29796894 0.85 BRAF (0.54) KCNA5FABP4BRAFCYP2C9
SCHEMBL855793 0.85 BRAF (0.54) KCNA5FABP4BRAFCYP2C9
SCHEMBL27101339 0.83
SCHEMBL913263 0.81 BRAF (0.46) FABP4BRAFACLY
SCHEMBL28320106 0.81
SCHEMBL20399212 0.79 BRAF (0.46) KCNA5FABP4BRAFCYP2C9
SCHEMBL20399271 0.77 KMT2A (0.55) FABP4ALDH1A1HSD17B10
SCHEMBL856018 0.74 BRAF (0.57) KCNA5BRAFCYP2C9
SCHEMBL411593 0.73 BRAF (0.53) KCNA5BRAFCYP2C9
SCHEMBL9930242 0.73 BRAF (0.53) KCNA5BRAFALDH1A1HSD17B10CYP2C9

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
CN-110291089-A Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death 海帕瑞吉尼克斯股份有限公司 2019-09-27 CN disclosed