SCHEMBL11031455

SCHEMBL11031455

CC(C)c1ccc(NC(=O)NCc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
EPHX1 P07099 4/20 0.57
EPHX2 P34913 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
NAMPT P43490 1/20 0.51
RAB9A P51151 3/20 0.50
CNR1 P21554 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL11026185 0.86 NPC1 (0.57) NPC1EPHX1EPHX2MEN1KMT2A
SCHEMBL10548838 0.84 CNR1 (0.66) NPC1MEN1KMT2AROCK2ROCK1
SCHEMBL11030224 0.82 KMT2A (0.59) NPC1MEN1KMT2AROCK2ROCK1
SCHEMBL11027327 0.82 RAB9A (0.64) NPC1EPHX2MEN1KMT2AROCK2
SCHEMBL11051112 0.81 RAB9A (0.60) NPC1EPHX2MEN1KMT2AROCK2
SCHEMBL11266342 0.81 EPHX1 (0.74) NPC1EPHX1MEN1KMT2AROCK2
SCHEMBL5638898 0.79 NAMPT (0.60) MEN1KMT2AROCK2ROCK1NAMPT
SCHEMBL10545814 0.78 TAS1R3 (0.61) MEN1KMT2AROCK2ROCK1TAS1R3
SCHEMBL11029084 0.78 NPC1 (0.53) NPC1MEN1KMT2AROCK2ROCK1
SCHEMBL6382679 0.78 EPHX1 (0.68) NPC1EPHX1EPHX2MEN1KMT2A

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
US-4438110-A 1-(MONO-SUBSTITUTED PHENYL)-3-BENZOYL UREA AND A PHOSPHOROUS CONTAINING COMPOUND UNION CARBIDE CORPORATION (US) 1984-03-20 US disclosed