SCHEMBL9303416

SCHEMBL9303416

C=CCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.72
KMT2A Q03164 8/20 0.72
MEN1 O00255 7/20 0.72
MAPT P10636 5/20 0.72
NPSR1 Q6W5P4 1/20 0.72
ALDH1A1 P00352 10/20 0.66
HPGD P15428 4/20 0.66
CASP1 P29466 2/20 0.62
USP2 O75604 2/20 0.62
CASP7 P55210 1/20 0.62
HSD17B10 Q99714 3/20 0.55
ALOX15 P16050 2/20 0.55
MAPK1 P28482 1/20 0.55
GAA P10253 5/20 0.52
GLA P06280 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP3A4 P08684 1/20 0.45
PNP P00491 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL6350010 0.80 ALDH1A1 (1.00) KDM4EKMT2AMEN1MAPTNPSR1
SCHEMBL9300858 0.80 KDM4E (0.72) KDM4EKMT2AMEN1MAPTNPSR1
SCHEMBL6093649 0.75 KDM4E (0.80) KDM4EKMT2AMEN1MAPTNPSR1
SCHEMBL1945491 0.74 KDM4E (0.66) KDM4EKMT2AMEN1MAPTNPSR1
SCHEMBL22111515 0.72 KDM4E (0.78) KDM4EKMT2AMEN1MAPTNPSR1
SCHEMBL6348563 0.72 ALDH1A1 (0.62) KDM4EKMT2AMEN1MAPTNPSR1
SCHEMBL7673685 0.70 MEN1 (0.56) KDM4EKMT2AMEN1MAPTNPSR1
SCHEMBL1946617 0.70 HPGD (0.59) KDM4EKMT2AMEN1MAPTNPSR1
SCHEMBL18207662 0.66 MEN1 (0.55) KDM4EKMT2AMEN1MAPTNPSR1
SCHEMBL23323358 0.65 KMT2A (0.52) KDM4EKMT2AMEN1MAPTNPSR1

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