SCHEMBL9300858

SCHEMBL9300858

CC(C)CNc1c(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
MEN1 O00255 8/20 0.72
KMT2A Q03164 8/20 0.72
MAPT P10636 4/20 0.72
NPSR1 Q6W5P4 1/20 0.72
ALDH1A1 P00352 9/20 0.70
HPGD P15428 4/20 0.70
GAA P10253 4/20 0.67
LMNA P02545 1/20 0.67
USP2 O75604 2/20 0.62
CASP1 P29466 2/20 0.62
CASP7 P55210 1/20 0.62
HSD17B10 Q99714 2/20 0.57
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
GLA P06280 1/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.45

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 0.82 ALDH1A1 (1.00) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL9303416 0.80 KDM4E (0.72) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL6093649 0.77 KDM4E (0.80) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL22111515 0.75 KDM4E (0.78) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL1945491 0.74 KDM4E (0.66) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL6348563 0.72 ALDH1A1 (0.62) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL9301449 0.72 ATM (0.58) MEN1KMT2AATML3MBTL1TDP1
SCHEMBL7090585 0.71 KDM4E (0.54) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL7088585 0.70 MEN1 (0.53) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL1946617 0.70 HPGD (0.59) KDM4EMEN1KMT2AMAPTNPSR1

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