SCHEMBL11028729

SCHEMBL11028729

CCCCc1ccc(NC(=O)NCc2c(F)cccc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
S1PR1 P21453 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
POLB P06746 1/20 0.50
DGAT1 O75907 1/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
GAA P10253 1/20 0.49
CNR1 P21554 1/20 0.48
TRPV1 Q8NER1 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
SCHEMBL11029084 0.86 NPC1 (0.53) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL11027043 0.81 RAB9A (0.60) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL7604406 0.80 NPC1 (0.52) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL15094124 0.79 CA12 (0.74) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL11027139 0.78 ROCK2 (0.55) NPC1RAB9AKMT2AMEN1CA12
SCHEMBL9428324 0.78 CNR1 (0.69) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL11029559 0.78 KMT2A (0.57) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL11026185 0.77 NPC1 (0.57) NPC1RAB9AKMT2AMEN1CA12
SCHEMBL11060468 0.77 RAB9A (0.59) NPC1RAB9AKMT2AMEN1ROCK2
SCHEMBL4107205 0.76 TRPV1 (0.72) NPC1RAB9AKMT2AMEN1CASP3

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