SCHEMBL5722145

SCHEMBL5722145

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C[C@H]2C[C@H]3C=C[C@@H]2C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
CNR2 P34972 16/20 0.45
CNR1 P21554 3/20 0.45
KCNH2 Q12809 1/20 0.42
PKM P14618 1/20 0.40

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
SCHEMBL4966279 1.00 KDM4E (0.49) KDM4EALDH1A1LMNAMAPTCNR2
SCHEMBL5722144 1.00 KDM4E (0.49) KDM4EALDH1A1LMNAMAPTCNR2
SCHEMBL4966282 1.00 KDM4E (0.49) KDM4EALDH1A1LMNAMAPTCNR2
SCHEMBL4966267 1.00 KDM4E (0.49) KDM4EALDH1A1LMNAMAPTCNR2
SCHEMBL14563948 0.94 CNR2 (0.46) KDM4EALDH1A1LMNAMAPTCNR2
SCHEMBL4966095 0.82 CNR2 (0.62) CNR2CNR1KCNH2
SCHEMBL4965533 0.81 CNR2 (0.64) CNR2CNR1
SCHEMBL4967074 0.80 KDM4E (0.47) KDM4EALDH1A1LMNAMAPTCNR2
SCHEMBL4965882 0.80 PAX8 (0.50) ALDH1A1LMNAPKM
SCHEMBL4967702 0.80 CNR2 (0.58) CNR2CNR1

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-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP disclosed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed