SCHEMBL27720144

SCHEMBL27720144

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
TSHR P16473 1/20 0.62
RAF1 P04049 3/20 0.61
CDK8 P49336 1/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
MTNR1B P49286 2/20 0.54
MTNR1A P48039 1/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
STAT1 P42224 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.52
PGR P06401 1/20 0.52
BRAF P15056 2/20 0.52
HDAC1 Q13547 2/20 0.52

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
SCHEMBL27720117 0.91 BRAF (0.61) TP53TSHRRAF1RAB9ANPC1
SCHEMBL27740983 0.89 CDK8 (0.56) RAF1CDK8RAB9ANPC1MAPT
SCHEMBL27720191 0.88 CDK8 (0.55) TP53TSHRRAF1CDK8RAB9A
SCHEMBL27720155 0.87 BRAF (0.64) RAF1CDK8RAB9ANPC1MAPT
SCHEMBL27720107 0.85 MEN1 (0.61) TSHRRAF1RAB9ANPC1MAPT
SCHEMBL27720100 0.84 BRAF (0.63) RAF1CDK8RAB9ANPC1MAPT
SCHEMBL27720157 0.83 MAPT (0.64) RAF1CDK8RAB9ANPC1MAPT
SCHEMBL27720178 0.82 RAB9A (0.60) RAF1CDK8RAB9ANPC1MAPT
SCHEMBL21295338 0.81 TP53 (0.83) TP53TSHRRAF1CDK8RAB9A
SCHEMBL29526156 0.80 RIPK1 (0.61) TP53TSHRRAF1CDK8RAB9A

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-101298427-B Diaryl urea compound and use thereof GUANGZHOU INST BIOMED & HEALTH 2012-03-21 CN disclosed
CN-101298427-A Diaryl urea compound and use thereof GUANGZHOU INST BIOMED & HEALTH (CN) 2008-11-05 CN disclosed