SCHEMBL9734099

SCHEMBL9734099

CC=CCc1cn(C(C)C)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AGTR1 P30556 2/20 0.31
AGTR2 P50052 2/20 0.31

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
SCHEMBL9734093 1.00 KMT2A (0.34) KMT2AKDM4ELMNAMAPTNPSR1
SCHEMBL9533240 0.91 AGTR1 (0.38) KMT2AAGTR1AGTR2
SCHEMBL9533244 0.91 AGTR1 (0.38) KMT2AAGTR1AGTR2
SCHEMBL9705099 0.85 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9554407 0.83 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9554409 0.83 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9554283 0.79 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9554281 0.79 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9705225 0.79 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9553746 0.79 AGTR1 (0.42) AGTR1AGTR2

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-5087634-A N-substituted imidazol-2-one compounds for treatment of circulatory disorders G. D. SEARLE & CO. (US) 1992-02-11 US disclosed