SCHEMBL7353785

SCHEMBL7353785

CCOC(=O)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.62
KDM4E B2RXH2 5/20 0.51
MAPT P10636 9/20 0.50
ALDH1A1 P00352 6/20 0.50
NPC1 O15118 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
RAB9A P51151 2/20 0.50
KCNJ1 P48048 2/20 0.49
CHEK1 O14757 1/20 0.48
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.46
RIPK1 Q13546 1/20 0.46
DGAT1 O75907 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
GRIN1 Q05586 1/20 0.43

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
SCHEMBL7353798 0.91 KDM4E (0.64) HSD17B10KDM4EMAPTALDH1A1NPC1
SCHEMBL28307940 0.88 MAPT (0.63) HSD17B10KDM4EMAPTALDH1A1NPC1
SCHEMBL28005154 0.86 MAPT (0.55) HSD17B10KDM4EMAPTALDH1A1NPC1
SCHEMBL3840417 0.82 HSD17B10 (0.71) HSD17B10KDM4EMAPTALDH1A1NPC1
SCHEMBL9303204 0.81 RIPK1 (0.53) KDM4EMAPTALDH1A1NPC1TDP1
SCHEMBL6753972 0.81 GAA (0.64) KDM4EMAPTALDH1A1NPC1TDP1
SCHEMBL2449511 0.81 SMN1; SMN2 (0.50) KDM4EMAPTALDH1A1RAB9AKCNJ1
SCHEMBL7249161 0.81 MAPT (0.58) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7357580 0.80 HSD17B10 (0.67) HSD17B10KDM4EMAPTALDH1A1NPC1
SCHEMBL12940747 0.80 HSD17B10 (0.67) HSD17B10KDM4EMAPTALDH1A1NPC1

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