SCHEMBL11030224

SCHEMBL11030224

O=C(NCc1c(Cl)cccc1Cl)Nc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
RAB9A P51151 5/20 0.59
MEN1 O00255 5/20 0.59
NPC1 O15118 4/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
CNR1 P21554 4/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
FPR2 P25090 1/20 0.51
MTOR P42345 1/20 0.48
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL10548838 0.87 CNR1 (0.66) KMT2ARAB9AMEN1NPC1ROCK2
SCHEMBL11027327 0.84 RAB9A (0.64) KMT2ARAB9AMEN1NPC1LMNA
SCHEMBL11029559 0.83 KMT2A (0.57) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL11031455 0.82 NPC1 (0.60) KMT2ARAB9AMEN1NPC1ROCK2
SCHEMBL5638898 0.81 NAMPT (0.60) KMT2AMEN1ROCK2ROCK1NAMPT
SCHEMBL11051112 0.81 RAB9A (0.60) KMT2ARAB9AMEN1NPC1LMNA
SCHEMBL10545814 0.81 TAS1R3 (0.61) KMT2ARAB9AMEN1LMNAMAPT
SCHEMBL27942206 0.78 KMT2A (0.69) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL11029084 0.77 NPC1 (0.53) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL11050914 0.76 CNR1 (0.66) KMT2ARAB9AMEN1NPC1CNR1

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