SCHEMBL7348109

SCHEMBL7348109

NC(=NC(=O)OCc1ccccc1)c1ccccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTT P42858 1/20 0.43
ALOX15 P16050 1/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
POLB P06746 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL6654456 0.82 NR4A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL3993457 0.80 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL7399817 0.78 RAB9A (0.49) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL2185619 0.78 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL5045569 0.77 LMNA (0.45) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL6645697 0.77 LMNA (0.45) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL6645702 0.77 LMNA (0.45) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL5177381 0.77 LMNA (0.45) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL7404735 0.77 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL7346308 0.76 ALDH1A1 (0.49) ALDH1A1TDP1MAPK1L3MBTL1KMT2A

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