SCHEMBL9255199

SCHEMBL9255199

CSc1nc2ccc(NC(=O)N3CCCC3)cc2n1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.45
AGTR2 P50052 1/20 0.45
DHFR P00374 1/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KLK7 P49862 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
PPARG P37231 2/20 0.40
TRPV1 Q8NER1 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
SCHEMBL9255362 0.89 AGTR1 (0.47) AGTR1AGTR2RAB9AKDM4EALDH1A1
SCHEMBL9258881 0.88 AGTR1 (0.52) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL9096666 0.88 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL9252791 0.86 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL9097072 0.83 AGTR1 (0.44) AGTR1AGTR2RAB9AKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL8788831 0.80 AGTR1 (0.41) AGTR1AGTR2DHFRRAB9AKDM4E
SCHEMBL8790341 0.79 MMP7 (0.45) AGTR1AGTR2DHFRRAB9AKDM4E
SCHEMBL9255204 0.77 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8393621 0.77 AGTR1 (0.74) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL9095778 0.77 AGTR1 (0.52) 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