SCHEMBL6236427

SCHEMBL6236427

Cc1cnc(C(C)NCc2ccc(OCc3ccccc3)cc2Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.46
MAOA P21397 1/20 0.46
S1PR1 P21453 1/20 0.41
PRKX P51817 1/20 0.41
ACVR1 Q04771 1/20 0.41
S1PR5 Q9H228 1/20 0.41
ALDH1A1 P00352 1/20 0.38
BCHE P06276 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RRM1 P23921 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL6230535 0.87 CD274 (0.46) MAOBMAOABCHEMEN1KMT2A
SCHEMBL6261792 0.85 PTPRZ1 (0.43) MAOBMAOA
SCHEMBL6232917 0.85 PTPRZ1 (0.43) MAOBMAOA
SCHEMBL6237847 0.84 BCHE (0.54) BCHEMEN1KMT2A
SCHEMBL6237852 0.84 BCHE (0.54) BCHEMEN1KMT2A
SCHEMBL6231782 0.84 MAOB (0.43) MAOBMAOAALDH1A1MEN1KMT2A
SCHEMBL6233689 0.80 CD274 (0.45) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6233776 0.78 CD274 (0.45) MEN1KMT2A
SCHEMBL6236432 0.78 BCHE (0.46) S1PR1PRKXACVR1S1PR5ALDH1A1
SCHEMBL6233814 0.76 FFAR4 (0.45) ALDH1A1BCHEMEN1KMT2ARAB9A

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
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed