SCHEMBL6160579

SCHEMBL6160579

COc1ccc(NC(=O)NCc2ccccc2)cc1-c1nn(C)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTR2A P28223 9/20 0.46
HTR2C P28335 9/20 0.46
NAMPT P43490 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
RORC P51449 1/20 0.44

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
SCHEMBL2950542 0.81 L3MBTL1 (0.63) L3MBTL1NAMPTTP53MAPTNPC1
SCHEMBL29573760 0.81 HTR2A (0.70) HTR2AHTR2C
SCHEMBL5057350 0.81 HTR2A (0.70) HTR2AHTR2C
SCHEMBL4859619 0.79 SMN1; SMN2 (0.56) L3MBTL1RXFP1TP53MAPTNPC1
SCHEMBL6490218 0.77 L3MBTL1 (0.54) L3MBTL1RXFP1TP53MAPTNPC1
SCHEMBL29573278 0.77 HTR2A (0.70) HTR2AHTR2C
SCHEMBL2949934 0.77 NPC1 (0.60) L3MBTL1NAMPTMAPTNPC1RAB9A
SCHEMBL5061771 0.77 HTR2A (0.70) HTR2AHTR2C
SCHEMBL23019558 0.74 RORC (0.61) L3MBTL1NAMPTRXFP1RORC
SCHEMBL2960922 0.73 L3MBTL1 (0.57) L3MBTL1NAMPTMAPTNPC1RAB9A

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
EP-1558582-B1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2005-12-21 EP disclosed