SCHEMBL8790341

SCHEMBL8790341

CSc1nc2ccc(NC(=O)N3CCCC3)cc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.45
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KLK7 P49862 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
RECQL P46063 1/20 0.38
DHFR P00374 1/20 0.38
HTT P42858 1/20 0.37
ACSS2 Q9NR19 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8789893 0.90 MMP3 (0.43) MMP7MMP8MMP12AGTR1AGTR2
SCHEMBL8789813 0.89 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9097072 0.88 AGTR1 (0.44) MMP7MMP8MMP12AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8788831 0.88 AGTR1 (0.41) MMP7MMP8MMP12AGTR1AGTR2
SCHEMBL8789304 0.88 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8792314 0.86 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9040518 0.83 MMP7 (0.53) MMP7MMP8MMP12AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL9096666 0.81 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9042243 0.81 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9255199 0.79 AGTR1 (0.45) AGTR1AGTR2ALDH1A1KDM4EGLA

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-0468470-B1 Benzimidazoles, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1997-04-16 EP disclosed
EP-0468470-A1 Benzimidazoles, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-01-29 EP disclosed