SCHEMBL29328658

SCHEMBL29328658

N#Cc1cc(Oc2ccc(CC3CC3)cc2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.37
SYK P43405 3/20 0.35
PRKCQ Q04759 5/20 0.35
ESR1 P03372 2/20 0.34
CHRNA7 P36544 1/20 0.34
SCN9A Q15858 1/20 0.33
PRKCD Q05655 1/20 0.33
CCR3 P51677 1/20 0.32
CDK1 P06493 1/20 0.32
KDR P35968 1/20 0.32
RET P07949 1/20 0.32
MAOA P21397 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL29329640 0.89 SLC6A2 (0.39) SYKPRKCQESR1SCN9APRKCD
SCHEMBL29330567 0.85 PRKCQ (0.45) SYKPRKCQESR1SCN9APRKCD
SCHEMBL29330161 0.85 ESR1 (0.48) SYKPRKCQESR1SCN9APRKCD
SCHEMBL29330429 0.85 CYP19A1 (0.37) METSYKPRKCQESR1PRKCD
SCHEMBL29330163 0.84 ESR1 (0.42) SYKPRKCQESR1SCN9A
SCHEMBL29330255 0.84 ESR1 (0.42) METSYKPRKCQESR1SCN9A
SCHEMBL29330425 0.84 ESR1 (0.42) METSYKPRKCQESR1SCN9A
SCHEMBL29329124 0.84 PRKCQ (0.36) METSYKPRKCQESR1SCN9A
SCHEMBL29331087 0.83 PRKCQ (0.36) SYKPRKCQESR1CHRNA7CDK1
SCHEMBL29329004 0.83 PRKCQ (0.38) SYKPRKCQESR1PRKCDRET

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