SCHEMBL7422853

SCHEMBL7422853

CCCCOC(=O)NC(C)(C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
VCAM1 P19320 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
RAF1 P04049 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL7417312 0.86 HCAR3 (0.44) SMN1; SMN2NPC1CYP1A2CYP2C9RAB9A
SCHEMBL7416176 0.82 BCL2 (0.43) THRBVCAM1SMN1; SMN2HPGDNPC1
SCHEMBL4440995 0.82 BCL2 (0.43) THRBVCAM1SMN1; SMN2HPGDNPC1
SCHEMBL1460291 0.77 SMN1; SMN2 (0.44) SMN1; SMN2HPGDNPC1CYP1A2CYP2C9
SCHEMBL17287403 0.73 ESR1 (0.61) VCAM1SMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL6821981 0.72 VCAM1 (0.53) VCAM1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2014294 0.71 POLB (0.42) SMN1; SMN2HPGDNPC1CYP1A2CYP2C9
SCHEMBL30485017 0.71 PKM (0.57) SMN1; SMN2HPGDNPC1CYP1A2CYP2C9
SCHEMBL7101466 0.70 VCAM1 (0.48) THRBVCAM1SMN1; SMN2HPGDNPC1
SCHEMBL730106 0.70 VCAM1 (0.48) THRBVCAM1SMN1; SMN2HPGDALDH1A1

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
EP-1244636-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC Boehringer Ingelheim Pharma KG (DE) 2002-10-02 EP disclosed
WO-2001047896-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed