SCHEMBL8558744

SCHEMBL8558744

COc1ccc(C(O)(CC#N)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 2/20 0.44
AOC3 Q16853 1/20 0.44
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
APEX1 P27695 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
Acetonitrile SCHEMBL8561616 0.96 LMNA (0.42) LMNANPSR1HTTAOC3ALDH1A1
SCHEMBL6801469 0.82 AOC3 (0.41) LMNANPSR1HTTAOC3ALDH1A1
SCHEMBL7583086 0.79 ALDH1A1 (0.43) LMNANPSR1AOC3ALDH1A1GAA
SCHEMBL6865347 0.76 LMNA (0.49) LMNANPSR1HTTAOC3ALDH1A1
SCHEMBL6935441 0.76 LMNA (0.49) LMNANPSR1HTTAOC3ALDH1A1
SCHEMBL30522142 0.76 MAOA (0.48) LMNANPSR1HTTAOC3ALDH1A1
SCHEMBL20782023 0.76 APP (0.47) LMNAAOC3ALDH1A1GAAAPEX1
SCHEMBL9520196 0.75 ALDH1A1 (0.49) LMNAAOC3ALDH1A1TSHRSMN1; SMN2
SCHEMBL11622082 0.74 MEN1 (0.46) LMNAALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL30522132 0.74 MAOA (0.46) LMNANPSR1HTTAOC3ALDH1A1

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-0543861-B1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIOTECH PHARM (GB) 1998-10-14 EP disclosed
US-5276153-A Antagonist of platelet activating factor for bronchodilation BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-01-04 US disclosed
US-5180723-A Hypertensives, bronchodilators, antiedemic agents BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-01-19 US disclosed
WO-1992003422-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed