SCHEMBL7090585

SCHEMBL7090585

CC(C)C(=O)Nc1c(N)n(Cc2ccc(Cl)cc2)c(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
USP2 O75604 2/20 0.47
CASP1 P29466 2/20 0.47
NOD1 Q9Y239 1/20 0.47
CASP7 P55210 1/20 0.47
P2RX3 P56373 1/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7088585 0.89 MEN1 (0.53) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7319925 0.83 KDM4E (0.61) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7093037 0.80 MAPT (0.49) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7673685 0.77 MEN1 (0.56) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL6673404 0.72 MEN1 (0.50) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL20105594 0.71 KDM4E (0.64) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL9300858 0.71 KDM4E (0.72) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL6350010 0.71 ALDH1A1 (1.00) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL8577820 0.70 HTT (0.43) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7674391 0.70 MEN1 (0.47) KDM4EMEN1KMT2AALDH1A1HPGD

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-0799040-B1 TRISUBSTITUTED THIOXANTHINES EURO CELTIQUE SA (LU) 2003-08-20 EP disclosed
US-6268373-B1 ENZYME INHIBITORS EURO-CELTIQUE S.A. (LU) 2001-07-31 US disclosed
US-6025361-A EFFECTIVE PDE IV INHIBITORS, ASTHMA EURO-CELTIQUE, S.A. (LU) 2000-02-15 US disclosed
US-5977119-A Trisubstituted thioxanthines EURO-CELTIQUE, S.A. (LU) 1999-11-02 US disclosed
EP-0799040-A4 TRISUBSTITUTED THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP disclosed
EP-0799040-A1 TRISUBSTITUTED THIOXANTHINES Euroceltique S.A. (LU) 1997-10-08 EP disclosed
WO-1996018400-A1 TRISUBSTITUTED THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO disclosed