SCHEMBL29330428

SCHEMBL29330428

N#Cc1cc(OCc2ccc(C(F)(F)F)cc2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.42
CHRNA7 P36544 3/20 0.40
KCNH2 Q12809 1/20 0.40
MAOB P27338 5/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
SYK P43405 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
PRMT5 O14744 1/20 0.35
GALR2 O43603 1/20 0.35
PRKCQ Q04759 1/20 0.34

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
SCHEMBL29329869 0.90 ESR1 (0.42) ESR1MAOB
SCHEMBL29330343 0.88 CHRNA7 (0.41) ESR1CHRNA7SYKABL1BCR
SCHEMBL29330430 0.88 PRKCQ (0.43) MAOBEGFRSYKABL1PRKCQ
SCHEMBL29330248 0.88 ESR1 (0.46) ESR1CHRNA7KCNH2KDRSYK
SCHEMBL29329528 0.87 SYK (0.36) ESR1SYKGALR2PRKCQ
SCHEMBL29330342 0.87 SYK (0.40) ESR1EGFRSYKABL1BCR
SCHEMBL29330433 0.86 SYK (0.41) ESR1MAOBSYKPRKCQ
SCHEMBL29329369 0.85 PRKCQ (0.34) ESR1KCNH2EGFRSYKPRKCQ
SCHEMBL29330495 0.85 IMPDH2 (0.38) MAOBEGFRPDGFRBKDR
SCHEMBL29329120 0.84 PRKCQ (0.34) ESR1KCNH2EGFRSYKPRMT5

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