SCHEMBL29329640

SCHEMBL29329640

N#Cc1cc(Oc2ccc(OCC3CC3)cc2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 2/20 0.39
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
ESR1 P03372 1/20 0.37
PRKCQ Q04759 5/20 0.37
PRKCD Q05655 1/20 0.37
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
SYK P43405 3/20 0.36
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
RET P07949 1/20 0.34
EGFR P00533 1/20 0.34
SCN9A Q15858 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 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
SCHEMBL29329943 0.89 SYK (0.37) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL29328658 0.89 MET (0.37) ESR1PRKCQPRKCDSYKRET
SCHEMBL29329117 0.89 CDK2 (0.39) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL29330161 0.88 ESR1 (0.48) KCNH2ESR1PRKCQPRKCDTTBK1
SCHEMBL29328882 0.88 SCN9A (0.36) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL29328808 0.87 PRKCQ (0.41) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL29329004 0.86 PRKCQ (0.38) ESR1PRKCQPRKCDSYKRET
SCHEMBL29330567 0.86 PRKCQ (0.45) ESR1PRKCQPRKCDTTBK1TTBK2
SCHEMBL29330255 0.85 ESR1 (0.42) KCNH2ESR1PRKCQTTBK1TTBK2
SCHEMBL29330425 0.85 ESR1 (0.42) KCNH2ESR1PRKCQPRKCDTTBK1

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