SCHEMBL9255362

SCHEMBL9255362

Cc1nc2ccc(NC(=O)N3CCCC3)cc2n1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.47
AGTR2 P50052 2/20 0.47
GLA P06280 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
KLK7 P49862 1/20 0.45
HSD17B10 Q99714 1/20 0.44
SPHK1 Q9NYA1 1/20 0.43
TRPV1 Q8NER1 2/20 0.41
PPARG P37231 2/20 0.41

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
SCHEMBL9258881 0.90 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9255199 0.89 AGTR1 (0.45) AGTR1AGTR2GLASMN1; SMN2RAB9A
SCHEMBL9252791 0.88 AGTR1 (0.57) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL9095778 0.87 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9255204 0.86 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8906055 0.82 AGTR1 (0.45) AGTR1AGTR2GLASMN1; SMN2RAB9A
SCHEMBL8393621 0.79 AGTR1 (0.74) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL8789448 0.79 SPHK1 (0.46) AGTR1AGTR2GLASMN1; SMN2RAB9A
SCHEMBL8789893 0.78 MMP3 (0.43) AGTR1AGTR2GLASMN1; SMN2RAB9A
Trifluoroacetic Acid SCHEMBL9096666 0.77 AGTR1 (0.50) AGTR1AGTR2PPARG

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
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed