SCHEMBL9422809

SCHEMBL9422809

CCCCc1nc2cc(Br)cc(C(=O)OC)c2n1Cc1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PTGES O14684 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44

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
SCHEMBL7056945 0.90 KDM4E (0.52) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9422811 0.88 KDM4E (0.48) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9422984 0.80 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9422780 0.79 KDM4E (0.52) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9529830 0.79 PTGES (0.50) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL7677328 0.78 ALDH1A1 (0.52) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9422757 0.78 KDM4E (0.52) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6170644 0.77 AGTR2 (0.53) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9422841 0.77 KDM4E (0.54) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9422775 0.73 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294631-A Substituted benzimidazoles useful as angiotension II receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-03-15 US disclosed
EP-0525129-A4 SUBSTITUTED BENZIMIDAZOLES 1993-03-24 EP disclosed
EP-0525129-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1993-02-03 EP disclosed
WO-1991016313-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1991-10-31 WO disclosed