SCHEMBL7417312

SCHEMBL7417312

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 2/20 0.42
GLA P06280 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CDC25B P30305 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
SCHEMBL7422853 0.86 THRB (0.44) MAPTMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL4445863 0.82 HCAR3 (0.50) HCAR3KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL30485017 0.72 PKM (0.57) KMT2AMAPTMAPK1LMNASMN1; SMN2
SCHEMBL2014294 0.71 POLB (0.42) MAPTMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL4443935 0.70 HCAR3 (0.41) HCAR3KMT2AMAPTMAPK1LMNA
SCHEMBL7412611 0.70 HCAR3 (0.41) HCAR3KMT2AMAPTMAPK1LMNA
SCHEMBL16654381 0.70 SMN1; SMN2 (0.56) KMT2AMAPTMAPK1LMNASMN1; SMN2
SCHEMBL7979459 0.69 HCAR3 (0.47) HCAR3KMT2AMAPTMAPK1LMNA
SCHEMBL30196334 0.69 MAPT (0.48) KMT2AMAPTMAPK1LMNASMN1; SMN2
SCHEMBL27508285 0.68 ALDH1A1 (0.48) HCAR3KMT2AMAPTMAPK1SMN1; SMN2

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 2 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