SCHEMBL30898641

SCHEMBL30898641

NC(=O)c1cccc(-c2ccc3c(c2)NC(=O)C32CCCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.67
PGR P06401 7/20 0.53
TDP2 O95551 1/20 0.49
RAF1 P04049 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL30898677 0.99 MAPK14 (0.69) MAPK14PGRTDP2RAF1CYP1A2
SCHEMBL30898719 0.89 MAPK14 (0.57) MAPK14PGRTDP2
SCHEMBL30898648 0.88 MAPK14 (0.56) MAPK14PGRTDP2RAF1
SCHEMBL30898618 0.87 MAPK14 (0.57) MAPK14PGRTDP2
SCHEMBL30898662 0.85 MAPK14 (0.55) MAPK14PGRTDP2CYP1A2
SCHEMBL30898723 0.85 MAPK14 (0.55) MAPK14PGRTDP2RAF1CYP1A2
SCHEMBL30898627 0.83 MAPK14 (0.54) MAPK14PGRTDP2CYP2C9CYP2C19
SCHEMBL30898702 0.82 MAPK14 (0.52) MAPK14PGRTDP2RAF1CYP1A2
SCHEMBL12782697 0.81 MAPK14 (1.00) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL1232289 0.80 MAPK14 (1.00) MAPK14RAF1CYP1A2CYP2C9CYP2C19

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-113330008-B Preparation method of amide compound and application of amide compound in medicine field 上海华汇拓医药科技有限公司 2024-05-07 CN disclosed