SCHEMBL7358797

SCHEMBL7358797

Nc1ccc2c(c1)nc(CCC(=O)O)n2CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
POLB P06746 3/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PIN1 Q13526 3/20 0.54
HDAC1 Q13547 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAPT P10636 1/20 0.51
JAK2 O60674 2/20 0.50
JAK1 P23458 2/20 0.50
TYK2 P29597 2/20 0.50
JAK3 P52333 2/20 0.50
GAA P10253 1/20 0.49
TBXA2R P21731 1/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL7356967 0.82 PKM (0.55) KDM4EPOLBALDH1A1TP53HPGD
SCHEMBL7356971 0.82 PKM (0.55) KDM4EPOLBALDH1A1TP53HPGD
SCHEMBL12102425 0.80 HDAC6 (0.66) KDM4EALDH1A1HDAC1HDAC8L3MBTL1
SCHEMBL7348274 0.77 KDM4E (0.59) KDM4EPOLBALDH1A1HDAC1HDAC8
SCHEMBL7352228 0.75 PIN1 (0.53) KDM4EPOLBALDH1A1TP53HPGD
SCHEMBL7352223 0.75 PIN1 (0.53) KDM4EPOLBALDH1A1TP53HPGD
SCHEMBL3367601 0.73 HDAC1 (0.79) HDAC1HDAC8HDAC6
SCHEMBL15199000 0.73 HDAC6 (0.63) KDM4EALDH1A1HSD17B10HDAC1HDAC8
SCHEMBL29988753 0.73 HDAC6 (0.63) KDM4EALDH1A1HSD17B10HDAC1HDAC8
Hydrochloric Acid SCHEMBL29205435 0.72 LMNA (0.71) KDM4EPOLBL3MBTL1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741804-A Substituted benzimazoles which inhibit platelet aggrecation SMITHKLINE BEECHAM CORPORATION (US) 1998-04-21 US disclosed
EP-0672034-A4 BENZIMIDAZOLE COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION. SMITHKLINE BEECHAM CORP (US) 1996-09-25 EP disclosed
EP-0672034-A1 BENZIMIDAZOLE COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION SMITHKLINE BEECHAM CORPORATION (US) 1995-09-20 EP disclosed
WO-1994012478-A1 BENZIMIDAZOLE COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION SMITHKLINE BEECHAM CORPORATION (US) 1994-06-09 WO disclosed