SCHEMBL7347795

SCHEMBL7347795

O=C(O)CCc1nc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.57
▸ LMNA P02545 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALOX5 P09917 2/20 0.52
▸ PTGS2 P35354 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CFTR P13569 5/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ PLA2G2A P14555 1/20 0.47

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
SCHEMBL7347799 1.00 TBXA2R (0.57) TBXA2RLMNAALDH1A1KDM4EALOX5
SCHEMBL8951088 0.91 TBXA2R (0.54) TBXA2RLMNAKMT2AMEN1RAB9A
SCHEMBL7356967 0.90 PKM (0.55) LMNAALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL7356971 0.90 PKM (0.55) LMNAALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL10573467 0.88 TBXA2R (0.69) TBXA2RLMNAKDM4EKMT2ACFTR
SCHEMBL7352223 0.81 PIN1 (0.53) TBXA2RLMNAALDH1A1KDM4EKMT2A
SCHEMBL7352228 0.81 PIN1 (0.53) TBXA2RLMNAALDH1A1KDM4EKMT2A
SCHEMBL27441481 0.81 KMT2A (0.52) TBXA2RLMNAALDH1A1ALOX5PTGS2
SCHEMBL29184692 0.80 KMT2A (0.64) LMNAALDH1A1KMT2AMEN1RAB9A
SCHEMBL29129969 0.79 MEN1 (0.47) TBXA2RALDH1A1ALOX5PTGS2ALOX15

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
Send feedback