SCHEMBL14744452

SCHEMBL14744452

N#Cc1cc(N)cc(Cl)c1-c1ccccc1OC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 14/20 0.49
SLC22A12 Q96S37 3/20 0.43
MAP2 P11137 1/20 0.40
AR P10275 2/20 0.39
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL30320910 0.86 RORC (0.50) RORCMAP2CYP2C9CYP2C19
SCHEMBL14744202 0.86 RORC (0.50) RORCMAP2CYP2C9CYP2C19
SCHEMBL14744529 0.86 ALOX5AP (0.40) RORCSLC22A12MAP2AR
SCHEMBL14744191 0.81 RORC (0.44) RORCMAP2CYP2C9CYP2C19
SCHEMBL14744242 0.80 RORC (0.48) RORCMAP2CYP2C9CYP2C19
SCHEMBL28898212 0.80 RORC (0.50) RORCSLC22A12CYP2C9CYP2C19
SCHEMBL14746783 0.79 KDM4E (0.43) SLC22A12AR
SCHEMBL14744245 0.74 RORC (0.45) RORCMAP2
SCHEMBL30321020 0.74 RORC (0.45) RORCMAP2
SCHEMBL14744380 0.73 ALOX5AP (0.47) RORCMAP2CYP2C9

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
CN-107522634-B Biaryl urea carboxylic acid derivative or salt thereof, and preparation method and application thereof 复旦大学 2020-09-01 CN disclosed
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed