SCHEMBL29330716

SCHEMBL29330716

N#Cc1cc(OCCc2ccc(C(F)(F)F)cc2)cc(Nc2cc(Cl)c3cc[nH]c3c2)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.35
KCNH2 Q12809 1/20 0.35
CHEK1 O14757 2/20 0.35
SYK P43405 1/20 0.35
TTBK1 Q5TCY1 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
TTBK2 Q6IQ55 1/20 0.33
PPARA Q07869 2/20 0.32
PPARD Q03181 1/20 0.32
KDR P35968 1/20 0.31
ESR1 P03372 1/20 0.31
CNR1 P21554 1/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 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
SCHEMBL29330715 0.86 CHRNA7 (0.35) CHRNA7KCNH2CHEK1SIRT2PPARA
SCHEMBL30938633 0.82 SIRT2 (0.35) CHRNA7CHEK1SIRT2PPARAPPARD
SCHEMBL30938642 0.82 SIRT2 (0.35) CHRNA7CHEK1SIRT2PPARAPPARD
SCHEMBL29330952 0.82 SIRT2 (0.35) CHRNA7CHEK1SIRT2PPARAPPARD
SCHEMBL29333406 0.82 SIRT2 (0.35) CHRNA7SIRT2PPARAPPARD
SCHEMBL29330428 0.79 ESR1 (0.42) CHRNA7KCNH2SYKKDRESR1
SCHEMBL29331084 0.78 SIRT2 (0.35) CHEK1SIRT2PPARAPPARD
SCHEMBL29329368 0.78 ESR1 (0.41) TTBK1SIRT2TTBK2ESR1
SCHEMBL29329365 0.78 MET (0.40) SYKKDRESR1
SCHEMBL29328881 0.77 SYK (0.38) SYKKDR

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