SCHEMBL29330168

SCHEMBL29330168

CC(Oc1cc(C#N)nc(Nc2ccc3c(F)c[nH]c3c2)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 1/20 0.33
DHODH Q02127 3/20 0.32
APP P05067 1/20 0.31
TRPA1 O75762 1/20 0.31
VDR P11473 1/20 0.31
MET P08581 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
SCHEMBL29332780 0.88 MET (0.33) GALR2DHODHAPPMET
SCHEMBL29328813 0.88 CDK4 (0.33) GALR2DHODHAPPTRPA1MET
SCHEMBL29330502 0.87 KCNH2 (0.39) GALR2APPTRPA1MET
SCHEMBL29330500 0.83 P2RY14 (0.35) GALR2APPTRPA1
SCHEMBL29330495 0.83 IMPDH2 (0.38) MET
SCHEMBL30938633 0.81 SIRT2 (0.35) GALR2APPTRPA1MET
SCHEMBL29330952 0.81 SIRT2 (0.35) GALR2APPTRPA1MET
SCHEMBL30938642 0.81 SIRT2 (0.35) GALR2APPTRPA1MET
SCHEMBL29330499 0.80 APP (0.35) GALR2APPTRPA1
SCHEMBL29330719 0.80 APP (0.35) GALR2APPTRPA1

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