SCHEMBL29330495

SCHEMBL29330495

N#Cc1cc(OCc2ccc(C(F)(F)F)cc2)cc(Nc2ccc3c(F)c[nH]c3c2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.38
MAOB P27338 8/20 0.35
EGFR P00533 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
MAOA P21397 2/20 0.35
AR P10275 2/20 0.34
MET P08581 1/20 0.33
HMOX1 P09601 1/20 0.33
P2RY14 Q15391 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL30938642 0.91 SIRT2 (0.35) EGFRKDRMETP2RY14PPARA
SCHEMBL29330952 0.91 SIRT2 (0.35) EGFRKDRMETP2RY14PPARA
SCHEMBL30938633 0.91 SIRT2 (0.35) EGFRKDRMETP2RY14PPARA
SCHEMBL29330500 0.90 P2RY14 (0.35) P2RY14
SCHEMBL29330566 0.89 IMPDH2 (0.50) IMPDH2MAOBEGFRARMET
SCHEMBL29330502 0.88 KCNH2 (0.39) KDRMET
SCHEMBL29332780 0.86 MET (0.33) METPPARA
SCHEMBL29328813 0.86 CDK4 (0.33) METP2RY14
SCHEMBL29330428 0.85 ESR1 (0.42) MAOBEGFRPDGFRBKDR
SCHEMBL29328811 0.83 CDK2 (0.32) MET

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