SCHEMBL540895

SCHEMBL540895

CCCCCCCc1nc2ccccc2n1CCCCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.65
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
AGTR1 P30556 1/20 0.62
AGTR2 P50052 1/20 0.62
RECQL P46063 1/20 0.61
APEX1 P27695 1/20 0.61
HTT P42858 3/20 0.60
GAA P10253 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
PPARG P37231 2/20 0.56

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
SCHEMBL668252 0.91 LMNA (0.66) TP53LMNASMN1; SMN2AGTR1AGTR2
SCHEMBL28879087 0.89 LMNA (0.67) TP53LMNASMN1; SMN2AGTR1AGTR2
SCHEMBL28879019 0.89 LMNA (0.67) TP53LMNASMN1; SMN2AGTR1AGTR2
SCHEMBL28878994 0.89 LMNA (0.67) TP53LMNASMN1; SMN2AGTR1AGTR2
SCHEMBL28716632 0.89 LMNA (0.67) TP53LMNASMN1; SMN2AGTR1AGTR2
SCHEMBL29968953 0.89 LMNA (0.67) TP53LMNASMN1; SMN2AGTR1AGTR2
SCHEMBL29968482 0.89 LMNA (0.67) TP53LMNASMN1; SMN2AGTR1AGTR2
SCHEMBL28860662 0.89 LMNA (0.67) TP53LMNASMN1; SMN2AGTR1AGTR2
SCHEMBL9422768 0.88 KDM4E (0.67) TP53LMNASMN1; SMN2AGTR1AGTR2
SCHEMBL2361056 0.87 TP53 (0.69) TP53LMNASMN1; SMN2RECQLHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP claimed