SCHEMBL9080741

SCHEMBL9080741

Cn1ccc2cc(NC(=O)Nc3cccc(CNCc4cccc(Cl)c4)c3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
MAPT P10636 5/20 0.55
KMT2A Q03164 5/20 0.55
HTR2B P41595 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
TP53 P04637 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
RECQL P46063 2/20 0.55
HTR2C P28335 4/20 0.54
ALDH1A1 P00352 2/20 0.50
THRB P10828 1/20 0.50
GRM5 P41594 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL9081740 0.95 HTR2B (0.54) MEN1MAPTKMT2AHTR2BKDM4E
SCHEMBL9082827 0.93 MEN1 (0.54) MEN1MAPTKMT2AHTR2BKDM4E
SCHEMBL9081223 0.90 HTR2B (0.58) MEN1MAPTKMT2AHTR2BKDM4E
SCHEMBL9081306 0.89 CYP1A2 (0.53) MEN1MAPTKMT2AHTR2BKDM4E
SCHEMBL9080815 0.87 HTR2B (0.55) MEN1MAPTKMT2AHTR2BKDM4E
SCHEMBL9082465 0.85 HIF1A (0.55) MEN1MAPTKMT2AHTR2BKDM4E
SCHEMBL9082355 0.85 TP53 (0.53) MEN1MAPTKMT2AHTR2BKDM4E
SCHEMBL9082294 0.85 HTR2B (0.73) MEN1MAPTKMT2AHTR2BKDM4E
SCHEMBL9080963 0.85 HTR2B (0.53) MEN1MAPTKMT2AHTR2BKDM4E
SCHEMBL9081805 0.84 HTR2B (0.50) MEN1MAPTKMT2AHTR2BKDM4E

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
WO-1996039382-A1 UREA DERIVATIVES AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-12 WO disclosed