SCHEMBL11029559

SCHEMBL11029559

O=C(NCc1c(F)cccc1F)Nc1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
RAB9A P51151 4/20 0.57
NPC1 O15118 2/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
ROCK2 O75116 1/20 0.55
ROCK1 Q13464 1/20 0.55
MAOB P27338 2/20 0.51
MAOA P21397 1/20 0.51
CNR1 P21554 2/20 0.51
FPR2 P25090 2/20 0.50
MTOR P42345 1/20 0.50
POLB P06746 1/20 0.47
NAMPT P43490 1/20 0.46

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
SCHEMBL11027043 0.88 RAB9A (0.60) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL11027139 0.85 ROCK2 (0.55) KMT2AMEN1RAB9ANPC1HTT
SCHEMBL9428324 0.85 CNR1 (0.69) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11030224 0.83 KMT2A (0.59) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL11025356 0.82 MTOR (0.62) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL5641191 0.82 DNMT3B (0.58) KMT2AMEN1HTTSMN1; SMN2ROCK2
SCHEMBL11060468 0.81 RAB9A (0.59) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL11026185 0.81 NPC1 (0.57) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11028729 0.78 NPC1 (0.52) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL27942206 0.76 KMT2A (0.69) KMT2AMEN1RAB9ANPC1MAPT

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