SCHEMBL7101680

SCHEMBL7101680

O=C(c1ccccc1)c1ccc2cccnc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 2/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
NPC1 O15118 1/20 0.51
CNR2 P34972 1/20 0.51
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DOT1L Q8TEK3 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
EGLN1 Q9GZT9 1/20 0.49
HTT P42858 2/20 0.49
PABPC1 P11940 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 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
SCHEMBL29406417 0.84 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1RAB9ACASP1
SCHEMBL1145034 0.84 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1RAB9ACASP1
Benzophenone SCHEMBL27908043 0.84 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1RAB9ANPC1
Quinoline SCHEMBL28106687 0.83 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1RAB9ACASP1
Hydrochloric Acid SCHEMBL9691126 0.83 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1RAB9ACASP1
SCHEMBL27268710 0.83 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1RAB9ACASP1
Benzophenone SCHEMBL29065284 0.80 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL2524478 0.79 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1RAB9ACASP1
SCHEMBL4517996 0.79 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1CASP1CASP7
SCHEMBL2232014 0.79 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1CASP1CASP7

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
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 EP disclosed