SCHEMBL7087637

SCHEMBL7087637

Nc1c(N=O)c(=O)[nH]c(=O)n1Cc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
TYMS P04818 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
POLB P06746 1/20 0.41
PNP P00491 1/20 0.40
USP2 O75604 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
CYP3A4 P08684 1/20 0.38
MGMT P16455 1/20 0.37
PKM P14618 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL1946617 0.87 HPGD (0.59) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL1944136 0.85 HPGD (0.47) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL7674391 0.84 MEN1 (0.47) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL7091654 0.81 MAPT (0.49) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL8578124 0.80 ALDH1A1 (0.51) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL7316278 0.75 ALDH1A1 (0.57) KDM4EKMT2AHPGDALDH1A1MAPT
SCHEMBL1944866 0.73 KMT2A (0.54) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL8576371 0.73 DAO (0.50) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL1546582 0.72 MAPT (0.59) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL7088588 0.71 ALDH1A1 (0.74) KDM4EMEN1KMT2AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0814809-B1 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 2003-08-13 EP disclosed
US-6440979-B1 Aryl isoguanines EURO-CELTIQUE, S.A. (LU) 2002-08-27 US disclosed
US-6090816-A ANTIASTHMA AGENTS EURO-CELTIQUE S.A. (LU) 2000-07-18 US disclosed
US-6066641-A PHOSPHODIESTERASES AS MOLECULAR TARGETS FOR ANTI-ASTHMATIC AGENTS EURO-CELTIQUE S.A. (LU) 2000-05-23 US disclosed
EP-0814809-A4 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP disclosed
EP-0814809-A1 ARYL THIOXANTHINES Euroceltique S.A. (LU) 1998-01-07 EP disclosed
WO-1996018399-A1 ARYL THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO disclosed