SCHEMBL6681732

SCHEMBL6681732

C/C(=N/Nc1ccccc1)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.63
KMT2A Q03164 6/20 0.63
MEN1 O00255 4/20 0.63
NPC1 O15118 4/20 0.63
GAA P10253 3/20 0.63
MAOA P21397 2/20 0.59
MAOB P27338 2/20 0.59
MAPT P10636 1/20 0.58
ATM Q13315 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL6681734 1.00 RAB9A (0.63) RAB9AKMT2AMEN1NPC1GAA
SCHEMBL8225127 0.86 RAB9A (0.62) RAB9AKMT2AMEN1NPC1GAA
SCHEMBL7950232 0.86 RAB9A (0.65) RAB9AKMT2AMEN1NPC1GAA
SCHEMBL1605962 0.86 ALDH1A1 (0.68) RAB9AKMT2AMEN1NPC1GAA
Hydrochloric Acid SCHEMBL1606124 0.85 RAB9A (0.64) RAB9AKMT2AMEN1NPC1GAA
Hydrochloric Acid SCHEMBL6682861 0.85 KMT2A (0.69) RAB9AKMT2AMEN1NPC1GAA
Hydrochloric Acid SCHEMBL6682864 0.85 KMT2A (0.69) RAB9AKMT2AMEN1NPC1GAA
SCHEMBL2790141 0.84 KMT2A (0.67) RAB9AKMT2AMEN1NPC1GAA
SCHEMBL2844878 0.83 KMT2A (0.62) RAB9AKMT2AMEN1NPC1GAA
SCHEMBL4413307 0.82 GAA (0.69) RAB9AKMT2AMEN1NPC1GAA

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-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO disclosed