SCHEMBL29330433

SCHEMBL29330433

N#Cc1cc(OCc2ccc(F)c(F)c2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.41
CACNA1H O95180 2/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
PDPK1 O15530 1/20 0.37
MET P08581 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
PRKCQ Q04759 5/20 0.35
MAOB P27338 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MAOA P21397 1/20 0.34
CNR1 P21554 1/20 0.34
PRKCD Q05655 1/20 0.34
CSF1R P07333 1/20 0.34
ESR1 P03372 1/20 0.34
RET P07949 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
SCHEMBL29330342 0.89 SYK (0.40) SYKMETSIRT2SIRT1SIRT3
SCHEMBL29330430 0.86 PRKCQ (0.43) SYKSIRT2SIRT1SIRT3PRKCQ
SCHEMBL29330428 0.86 ESR1 (0.42) SYKPRKCQMAOBESR1
SCHEMBL29329528 0.86 SYK (0.36) SYKMETSIRT2SIRT1SIRT3
SCHEMBL29330254 0.85 SYK (0.42) SYKMETPRKCQMAOBPRKCD
SCHEMBL29329365 0.85 MET (0.40) SYKMETPRKCQMAOBPRKCD
SCHEMBL29329292 0.84 SIRT2 (0.41) SYKMETSIRT2SIRT1SIRT3
SCHEMBL29329369 0.84 PRKCQ (0.34) SYKSIRT2SIRT1SIRT3PRKCQ
SCHEMBL29328881 0.84 SYK (0.38) SYKPDPK1METPRKCQMAOB
SCHEMBL29328744 0.83 SYK (0.39) SYKMETPRKCQPRKCDESR1

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