SCHEMBL29329935

SCHEMBL29329935

N#Cc1cc(Oc2ccc(C3CCCCC3)cc2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
PRKCQ Q04759 4/20 0.35
HAO1 Q9UJM8 1/20 0.35
ESR1 P03372 2/20 0.34
KCNH2 Q12809 1/20 0.34
SYK P43405 4/20 0.33
RXFP2 Q8WXD0 1/20 0.33
APP P05067 1/20 0.33
RET P07949 1/20 0.32
ABL1 P00519 1/20 0.32
CTSK P43235 1/20 0.32
GALR2 O43603 1/20 0.32
GALR1 P47211 1/20 0.32

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
SCHEMBL29331087 0.89 PRKCQ (0.36) PRKCQESR1SYKRXFP2RET
SCHEMBL29329120 0.85 PRKCQ (0.34) PRKCQESR1KCNH2SYKRET
SCHEMBL29329002 0.85 SYK (0.38) PRKCQESR1SYKRXFP2RET
SCHEMBL29330567 0.85 PRKCQ (0.45) SCN5ASCN9APRKCQESR1SYK
SCHEMBL29330161 0.85 ESR1 (0.48) SCN5ASCN9APRKCQESR1KCNH2
SCHEMBL29330163 0.84 ESR1 (0.42) SCN5ASCN9APRKCQESR1KCNH2
SCHEMBL29330425 0.84 ESR1 (0.42) SCN5ASCN9APRKCQESR1KCNH2
SCHEMBL29330255 0.84 ESR1 (0.42) SCN5ASCN9APRKCQESR1KCNH2
SCHEMBL29329640 0.83 SLC6A2 (0.39) SCN9APRKCQESR1KCNH2SYK
SCHEMBL29329369 0.83 PRKCQ (0.34) SCN5ASCN9APRKCQESR1KCNH2

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-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed