SCHEMBL9330149

SCHEMBL9330149

O=C1Nc2ccc(Nc3ccccc3)cc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.58
MAOB P27338 8/20 0.58
TGM2 P21980 5/20 0.54
CES1 P23141 3/20 0.54
APP P05067 1/20 0.51
CHEK1 O14757 1/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
RGS12 O14924 1/20 0.49
GMNN O75496 1/20 0.49
PRKD3 O94806 1/20 0.49
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.49
PRKCG P05129 1/20 0.49
PRKCB P05771 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
SRC P12931 1/20 0.49

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
SCHEMBL17154435 0.80 KDM1A (0.51) MAOAMAOBALDH1A1KDM4EMEN1
SCHEMBL27369690 0.77 EGFR (0.68) MAOAMAOBAPPCHEK1ALDH1A1
SCHEMBL29111180 0.75 TGM2 (0.56) MAOAMAOBTGM2CES1ALDH1A1
SCHEMBL28383053 0.75 TGM2 (0.56) MAOAMAOBTGM2CES1ALDH1A1
SCHEMBL2789935 0.74 MAOA (1.00) MAOAMAOBTGM2CES1ALDH1A1
SCHEMBL27591208 0.73 PDPK1 (0.59) MAOAMAOBTGM2CES1ALDH1A1
Hydrochloric Acid SCHEMBL10772129 0.73 MAOB (0.65) MAOAMAOBTGM2CES1ALDH1A1
SCHEMBL9543511 0.73 APP (0.59) MAOAAPPALDH1A1MEN1LMNA
SCHEMBL5529117 0.72 GSK3B (0.60) MAOATGM2CES1ALDH1A1MEN1
Isatin SCHEMBL28365971 0.72 MAOA (0.95) MAOAMAOBTGM2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369344-B1 N-arylation of isatins ABBOTT LAB (US) 1994-04-06 EP disclosed
US-5151518-A N-arylation of isatins ABBOTT LABORATORIES (US) 1992-09-29 US disclosed
EP-0369344-A1 N-arylation of isatins ABBOTT LABORATORIES (US) 1990-05-23 EP disclosed