SCHEMBL7352228

SCHEMBL7352228

O=C(O)CCc1nc2ccc([N+](=O)[O-])cc2n1CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.53
POLB P06746 4/20 0.50
KDM4E B2RXH2 2/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
LMNA P02545 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.47
AHR P35869 1/20 0.47
RAB9A P51151 1/20 0.47
CASP6 P55212 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.47
TBXA2R P21731 1/20 0.46

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
SCHEMBL7352223 1.00 PIN1 (0.53) PIN1POLBKDM4EIRAK4HDAC6
SCHEMBL7356967 0.91 PKM (0.55) PIN1POLBKDM4EIRAK4HDAC6
SCHEMBL7356971 0.91 PKM (0.55) PIN1POLBKDM4EIRAK4HDAC6
SCHEMBL8951088 0.90 TBXA2R (0.54) PIN1POLBIRAK4L3MBTL1LMNA
SCHEMBL27442742 0.83 L3MBTL1 (0.49) POLBIRAK4ALDH1A1PKML3MBTL1
SCHEMBL7347799 0.81 TBXA2R (0.57) KDM4EALDH1A1PKML3MBTL1LMNA
SCHEMBL7347795 0.81 TBXA2R (0.57) KDM4EALDH1A1PKML3MBTL1LMNA
SCHEMBL10573467 0.80 TBXA2R (0.69) PIN1POLBKDM4EHDAC6LMNA
SCHEMBL17531766 0.80 PIN1 (0.41) PIN1POLBKDM4EIRAK4HDAC6
SCHEMBL2425162 0.77 RAB9A (0.65) PIN1POLBKDM4EIRAK4ALDH1A1

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