SCHEMBL9300715

SCHEMBL9300715

CC(C)CN(C=O)c1c(N)[nH]c(=O)n(C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7435188 0.68 GAA (0.52) GAAKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9302319 0.67 KMT2A (0.54) GAAKMT2AKDM4EALDH1A1MAPT
SCHEMBL17582661 0.64 SMN1; SMN2 (0.43) KMT2AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL1947320 0.63 ADORA2B (0.39) GAAKMT2AKDM4EALDH1A1MAPT
SCHEMBL8696414 0.61 TYMP (0.41) GAAKMT2AKDM4EALDH1A1MAPT
SCHEMBL10279638 0.61 ALDH1A1 (0.34) GAAKMT2AKDM4EALDH1A1MAPT
SCHEMBL10230420 0.61 KDM4E (0.45) L3MBTL1GAAKMT2AKDM4EALDH1A1
SCHEMBL24097424 0.60 ADORA2B (0.37) GAAKMT2AKDM4EALDH1A1MAPT
SCHEMBL10178080 0.60 CSNK2A2 (0.44) GAAKMT2AKDM4EALDH1A1MAPT
SCHEMBL28143896 0.60 TYMP (0.40) GAAKMT2AKDM4EALDH1A1MAPT

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
US-5314890-A Treatment of asthma MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 1994-05-24 US disclosed
EP-0531349-A1 1-7 SUBSTITUTED XANTHINE DERIVATIVES HAVING ANTIASTHMATIC ACTIVITY, THEIR SALTS PHYSIOLOGICALLY ACCEPTABLE, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND PROCESS FOR THEIR PREPARATION MALESCI ISTITUTO FARMACOBIOLOGICO S.p.A. (IT) 1993-03-17 EP disclosed
WO-1991017993-A1 1-7 SUBSTITUTED XANTHINE DERIVATIVES HAVING ANTIASTHMATIC ACTIVITY, THEIR SALTS PHYSIOLOGICALLY ACCEPTABLE, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND PROCESS FOR THEIR PREPARATION MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A (IT) 1991-11-28 WO disclosed