SCHEMBL9530643

SCHEMBL9530643

CCCCc1nc2ccccc2n1CCC(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
GAA P10253 2/20 0.61
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 2/20 0.60
TP53 P04637 1/20 0.60
HPGD P15428 2/20 0.58
GLA P06280 1/20 0.57
RECQL P46063 1/20 0.57
AGTR1 P30556 1/20 0.57
AGTR2 P50052 1/20 0.57
NPC1 O15118 1/20 0.55

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
SCHEMBL9422768 0.86 KDM4E (0.67) KDM4EGAAHTTSMN1; SMN2LMNA
SCHEMBL668252 0.82 LMNA (0.66) KDM4EGAAHTTSMN1; SMN2LMNA
SCHEMBL31485758 0.81 GAA (0.68) KDM4EGAAHTTSMN1; SMN2LMNA
SCHEMBL16772661 0.80 HDAC6 (0.64) GAASMN1; SMN2RECQLNPC1
SCHEMBL14616345 0.79 ALDH1A1 (0.58) KDM4EHTTSMN1; SMN2LMNATP53
SCHEMBL6829039 0.78 KDM4E (0.53) KDM4ESMN1; SMN2LMNANPC1
SCHEMBL9422759 0.78 APEX1 (0.84) KDM4EGAAHTTGLAAGTR1
SCHEMBL2361056 0.77 TP53 (0.69) GAAHTTSMN1; SMN2LMNATP53
SCHEMBL540895 0.77 TP53 (0.65) KDM4EGAAHTTSMN1; SMN2LMNA
SCHEMBL29145233 0.77 CNR2 (0.67) KDM4EGAAHTTSMN1; SMN2LMNA

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-0525129-A4 SUBSTITUTED BENZIMIDAZOLES 1993-03-24 EP disclosed
EP-0525129-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1993-02-03 EP disclosed