SCHEMBL9685344

SCHEMBL9685344

CCCCc1nc(OC)c(C=O)n1Cc1ccc(C2(C(=O)O)CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AGTR2 P50052 5/20 0.46
TSHR P16473 1/20 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
SCHEMBL9685772 0.90 AGTR1 (0.56) AGTR1MEN1KMT2AAGTR2
SCHEMBL9685819 0.89 AGTR1 (0.57) AGTR1MEN1KMT2AAGTR2
SCHEMBL9685773 0.83 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9685865 0.80 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9163668 0.75 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL9422648 0.75 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9165250 0.74 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL9685271 0.72 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9434830 0.71 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL11404329 0.71 MEN1 (0.63) MEN1KMT2ATSHR

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
EP-0485929-A1 Substituted azoles, process for their preparation and their application HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-20 EP disclosed