SCHEMBL9301449

SCHEMBL9301449

CC(C)CN(C=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
PSMD14 O00487 1/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL9302319 0.80 KMT2A (0.54) TDP1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL17175750 0.75 ATM (0.66) ATMTDP1L3MBTL1KMT2AMEN1
SCHEMBL9300858 0.72 KDM4E (0.72) ATMTDP1L3MBTL1KMT2AMEN1
SCHEMBL1945491 0.72 KDM4E (0.66) PSMD14KMT2AMEN1HTTSMN1; SMN2
SCHEMBL6348563 0.69 ALDH1A1 (0.62) ATMKMT2AMEN1SMN1; SMN2
SCHEMBL6350010 0.69 ALDH1A1 (1.00) ATML3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL1946617 0.67 HPGD (0.59) KMT2AMEN1SMN1; SMN2
SCHEMBL9300715 0.65 L3MBTL1 (0.32) TDP1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL9303416 0.64 KDM4E (0.72) ATML3MBTL1KMT2AMEN1
SCHEMBL18207662 0.64 MEN1 (0.55) KMT2AMEN1SMN1; SMN2

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