SCHEMBL29330719

SCHEMBL29330719

N#Cc1cc(O[C@H]2C[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc(Nc2ccc3c(F)c[nH]c3c2)n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.35
TRPA1 O75762 1/20 0.32
EPHX2 P34913 1/20 0.32
GALR2 O43603 1/20 0.32
SCN9A Q15858 1/20 0.32
TTBK1 Q5TCY1 1/20 0.30
TTBK2 Q6IQ55 1/20 0.30

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
SCHEMBL29330499 1.00 APP (0.35) APPTRPA1EPHX2GALR2SCN9A
SCHEMBL29330502 0.85 KCNH2 (0.39) APPTRPA1GALR2SCN9ATTBK1
SCHEMBL29330954 0.82 APP (0.38) APPTRPA1EPHX2
SCHEMBL29330500 0.82 P2RY14 (0.35) APPTRPA1GALR2SCN9ATTBK1
SCHEMBL29330495 0.81 IMPDH2 (0.38)
SCHEMBL29330831 0.80 APP (0.39) APP
SCHEMBL30938633 0.80 SIRT2 (0.35) APPTRPA1GALR2
SCHEMBL30938642 0.80 SIRT2 (0.35) APPTRPA1GALR2
SCHEMBL29330168 0.80 GALR2 (0.33) APPTRPA1GALR2
SCHEMBL29330952 0.80 SIRT2 (0.35) APPTRPA1GALR2

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