SCHEMBL25433890

SCHEMBL25433890

COc1ccc(-c2noc(N3CCC(C(=O)NCC4CCN(Cc5ccc(C)cc5)C4)CC3)n2)nc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.53
▸ CHRM4 P08173 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 1/20 0.48
▸ KIT P10721 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ TP53 P04637 2/20 0.43

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
SCHEMBL30584783 1.00 CCR5 (0.53) CCR5CHRM4MEN1KMT2ALMNA
SCHEMBL30584743 0.92 CCR5 (0.51) CCR5CHRM4MEN1KMT2ALMNA
SCHEMBL25433652 0.90 CCR5 (0.51) CCR5CHRM4MEN1KMT2ALMNA
SCHEMBL25437981 0.90 LMNA (0.59) CCR5MEN1KMT2ALMNASMN1; SMN2
SCHEMBL31546339 0.87 CCR5 (0.50) CCR5MEN1KMT2ALMNASMN1; SMN2
SCHEMBL25439353 0.86 MEN1 (0.53) CCR5CHRM4MEN1KMT2ALMNA
SCHEMBL30584865 0.86 MEN1 (0.53) CCR5CHRM4MEN1KMT2ALMNA
SCHEMBL25439449 0.86 CCR5 (0.49) CCR5MEN1KMT2ALMNAKIT
SCHEMBL31667355 0.86 LMNA (0.58) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL30584949 0.85 MEN1 (0.49) CCR5MEN1KMT2ALMNASMN1; SMN2

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
WO-2023177700-A2 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2023-09-21 — — WO disclosed
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