SCHEMBL27740978

SCHEMBL27740978

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(OCc4ccccc4)c(Cl)c3)cc2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 5/20 0.51
ACP1 P24666 1/20 0.47
PTPN12 Q05209 1/20 0.47
PTPN13 Q12923 1/20 0.47
SSU72 Q9NP77 1/20 0.47
EGFR P00533 4/20 0.46
ERBB2 P04626 4/20 0.46
RAF1 P04049 2/20 0.46
GCGR P47871 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
BRAF P15056 2/20 0.45
PPIA P62937 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL27720113 0.93 BRAF (0.48) PNLIPEGFRERBB2RAF1NPC1
SCHEMBL27740976 0.88 EGFR (0.51) PNLIPEGFRERBB2RAF1GCGR
SCHEMBL27720157 0.84 MAPT (0.64) PNLIPEGFRERBB2RAF1NPC1
SCHEMBL27720109 0.80 MAPK14 (0.52) EGFRHTR2AHTR2CKDRMET
SCHEMBL27720100 0.80 BRAF (0.63) PNLIPEGFRERBB2RAF1NPC1
SCHEMBL27720129 0.80 MEN1 (0.66) EGFRERBB2RAF1NPC1RAB9A
SCHEMBL27720161 0.80 HTR2A (0.51) EGFRHTR2AHTR2CKDRCSF1R
SCHEMBL27720191 0.80 CDK8 (0.55) RAF1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27720106 0.78 RAF1 (0.51) PNLIPEGFRERBB2RAF1NPC1
SCHEMBL27720155 0.77 BRAF (0.64) RAF1NPC1RAB9ASMN1; SMN2MAPT

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