SCHEMBL29329642

SCHEMBL29329642

N#Cc1cc(Oc2ccc(OC(F)(F)F)cc2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.46
BCR P11274 4/20 0.46
KCNH2 Q12809 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
DHODH Q02127 1/20 0.38
GALR2 O43603 3/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
PRKCQ Q04759 2/20 0.37
SYK P43405 2/20 0.36
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
GALR1 P47211 1/20 0.36
ESR1 P03372 3/20 0.36

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
SCHEMBL29330092 0.92 ABL1 (0.41) ABL1BCRKCNH2SCN5ASCN9A
SCHEMBL29330248 0.90 ESR1 (0.46) ABL1BCRKCNH2SCN5ASCN9A
SCHEMBL29329532 0.89 ABL1 (0.38) ABL1BCRPRKCQSYKESR1
SCHEMBL29330255 0.89 ESR1 (0.42) KCNH2SCN5ASCN9APRKCQSYK
SCHEMBL29330161 0.87 ESR1 (0.48) KCNH2SCN5ASCN9APRKCQSYK
SCHEMBL29330567 0.87 PRKCQ (0.45) SCN5ASCN9APRKCQSYKTTBK1
SCHEMBL29330095 0.87 PRKCQ (0.35) ABL1BCRPRKCQSYKTTBK1
SCHEMBL29330251 0.86 SYK (0.41) ABL1BCRPRKCQSYKESR1
SCHEMBL29330163 0.86 ESR1 (0.42) KCNH2SCN5ASCN9APRKCQSYK
SCHEMBL29330425 0.86 ESR1 (0.42) KCNH2SCN5ASCN9APRKCQSYK

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