SCHEMBL7088560

SCHEMBL7088560

COc1ccc(Cn2c(N)c(NC(=O)C(C)C)c(=O)[nH]c2=O)cc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.45
PDE4B Q07343 16/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PDE4A P27815 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 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
SCHEMBL7026709 0.92 PDE4B (0.41) KDM4EUSP2ALDH1A1MAPTHPGD
SCHEMBL7319925 0.89 KDM4E (0.61) KDM4EUSP2ALDH1A1MAPTHPGD
SCHEMBL6672335 0.80 MAPT (0.49) KDM4EUSP2ALDH1A1MAPTHPGD
SCHEMBL7088468 0.79 PDE4B (0.48) KDM4EUSP2ALDH1A1MAPTHPGD
SCHEMBL6673141 0.79 PDE4B (0.44) KDM4EUSP2ALDH1A1MAPTHPGD
SCHEMBL8409717 0.78 KDM4E (0.46) KDM4EUSP2ALDH1A1MAPTHPGD
SCHEMBL6675416 0.76 KDM4E (0.43) KDM4EUSP2ALDH1A1MAPTHPGD
SCHEMBL7093510 0.76 MTNR1A (0.56) ALDH1A1HPGDPDE4BPDE4APDE4C
SCHEMBL6673781 0.76 ALDH1A1 (0.49) KDM4EUSP2ALDH1A1MAPTHPGD
SCHEMBL6677308 0.75 PDE4A (0.42) KDM4EUSP2ALDH1A1MAPTHPGD

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 6 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
WO-1996018399-A1 ARYL THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO disclosed
EP-0515535-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1996-01-17 EP disclosed