SCHEMBL7350400

SCHEMBL7350400

COC(=O)CCc1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
MAPT P10636 9/20 0.53
ALDH1A1 P00352 7/20 0.53
KCNJ1 P48048 2/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
THRB P10828 1/20 0.47
NPC1 O15118 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RIPK1 Q13546 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL7350393 0.91 KDM4E (0.67) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL28307940 0.88 MAPT (0.63) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL28289712 0.87 KDM4E (0.51) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL28289753 0.85 CHRM1 (0.58) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL28289713 0.85 ALDH1A1 (0.65) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL28005154 0.82 MAPT (0.55) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL8601352 0.81 KDM4E (0.80) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL7867650 0.81 PKM (0.67) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL9642123 0.81 MAPT (0.78) KDM4EMAPTALDH1A1KCNJ1LMNA
SCHEMBL28005156 0.81 MAPT (0.62) KDM4EMAPTALDH1A1KCNJ1LMNA

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
CN-109988794-B Method for synthesizing nitrobenzimidazole derivatives through enzyme catalysis in continuous flow reactor 浙江农林大学 2023-06-13 CN disclosed
CN-109988794-A A method of the Enzyme catalyzed synthesis nitrobenzimidazole analog derivative in continuous flow reactor 浙江农林大学 2019-07-09 CN disclosed
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