SCHEMBL9141997

SCHEMBL9141997

Oc1ccc(-c2cc(Cl)n3nccc3n2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.53
GAA P10253 5/20 0.43
GFER P55789 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MIF P14174 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 5/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 2/20 0.43
CASP6 P55212 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIK3CG P48736 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
RECQL P46063 3/20 0.39
ESR2 Q92731 3/20 0.39
NSD2 O96028 1/20 0.39

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
SCHEMBL9141525 0.85 GAA (0.46) GAAGFERKMT2AMEN1MIF
SCHEMBL14395147 0.84 PIK3CG (0.54) PDE10AKMT2AMEN1RAB9ANPC1
SCHEMBL9145193 0.82 GAA (0.43) GAAGFERKMT2AMEN1MIF
SCHEMBL9143480 0.82 GAA (0.43) GAAGFERKMT2AMEN1MIF
SCHEMBL312516 0.81 PDE10A (0.64) PDE10ARAB9ANPC1PIK3CGMAPT
SCHEMBL6031252 0.79 TP53 (0.45) GAAGFERKMT2AMEN1MIF
SCHEMBL13778098 0.79 PDE10A (0.56) PDE10ARAB9ANPC1PIK3CGCCNE1
SCHEMBL5460421 0.78 PDE10A (0.59) PDE10AGAAKMT2AMEN1RAB9A
SCHEMBL13304943 0.77 PDE10A (0.53) PDE10APIK3CGCCNE1CDK2RAD52
SCHEMBL12953206 0.76 KDM4E (0.54) PDE10AKMT2AMEN1RAB9APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5438052-A Cephalosporin derivatives HOFFMANN-LA ROCHE INC. (US) 1995-08-01 US disclosed
EP-0544166-A2 Cephalosporinderivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed