SCHEMBL29129683

SCHEMBL29129683

O=C=NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.46
IDO1 P14902 2/20 0.42
DAO P14920 2/20 0.38
CES2 O00748 1/20 0.38
TACR1 P25103 6/20 0.37
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
MTOR P42345 1/20 0.35
XPO1 O14980 1/20 0.35
MLYCD O95822 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL2489084 0.82 MIF (0.71) MIFIDO1DAOGRIN2B
SCHEMBL29069340 0.80 MIF (0.69) MIFIDO1DAOCES2TACR1
SCHEMBL8816811 0.80 GABRA1 (0.37) MIFRXRARXRBRXRG
SCHEMBL1648872 0.80 MIF (0.49) MIFIDO1DAOCES2GRIN2B
SCHEMBL199862 0.78 CYP3A4 (0.32) MIF
SCHEMBL460071 0.76 POLB (0.34) MIFRXRARXRBRXRG
SCHEMBL7873861 0.72 IDO1 (0.47) MIFIDO1DAOCES2TACR1
SCHEMBL5540436 0.72 IDO1 (0.47) IDO1DAOCES2TACR1RXRA
SCHEMBL16798241 0.72 MIF (0.41) MIFIDO1DAOCES2
SCHEMBL15435871 0.72 MIF (0.41) MIFIDO1

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-112759564-B Diaryl urea compound and its prepn and medicinal use 中国医学科学院药物研究所 2023-09-26 CN disclosed