SCHEMBL7348242

SCHEMBL7348242

Nc1ccc2nc(CC(=O)O)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.68
ALDH1A1 P00352 5/20 0.68
KDM4E B2RXH2 8/20 0.60
PKM P14618 5/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
TDP1 Q9NUW8 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GAA P10253 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 3/20 0.58
RAD52 P43351 1/20 0.58
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51
APEX1 P27695 2/20 0.50
GLA P06280 3/20 0.49
NPC1 O15118 2/20 0.49
GFER P55789 2/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 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
SCHEMBL7348235 0.88 MAPT (0.53) MAPTALDH1A1KDM4EPKMMEN1
SCHEMBL10891261 0.86 MAPT (0.59) MAPTALDH1A1KDM4EPKMMEN1
SCHEMBL18826597 0.85 MAPT (0.82) MAPTALDH1A1KDM4EPKMMEN1
SCHEMBL10891264 0.84 RAD52 (0.62) MAPTALDH1A1KDM4EPKMMEN1
SCHEMBL16443968 0.82 MAPT (0.61) MAPTALDH1A1KDM4EPKMMEN1
SCHEMBL3214301 0.81 TDP1 (0.67) ALDH1A1TDP1RAB9AAPEX1NPC1
SCHEMBL38661086 0.81 IDO1 (0.59) MAPTALDH1A1APEX1NPSR1
SCHEMBL7357590 0.80 HSD17B10 (0.67) MAPTALDH1A1KDM4EPKMMEN1
SCHEMBL520978 0.80 RAD52 (0.69) MAPTALDH1A1KDM4EPKMMEN1
SCHEMBL4069591 0.78 PIN1 (0.63) MAPTALDH1A1GRIN1GRIN2BAPEX1

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