SCHEMBL29330425

SCHEMBL29330425

Cc1ccc(Oc2cc(C#N)nc(Nc3ccc4cc[nH]c4c3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.42
CYP19A1 P11511 1/20 0.42
PRKCQ Q04759 4/20 0.40
SYK P43405 2/20 0.39
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
RET P07949 1/20 0.37
SLC2A1 P11166 1/20 0.36
CSNK1A1 P48729 2/20 0.36
CSNK1D P48730 2/20 0.36
PRKCD Q05655 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G2 P78368 1/20 0.35

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
SCHEMBL29330567 0.90 PRKCQ (0.45) ESR1PRKCQSYKTTBK1TTBK2
SCHEMBL29330161 0.90 ESR1 (0.48) ESR1CYP19A1PRKCQSYKTTBK1
SCHEMBL29330163 0.89 ESR1 (0.42) ESR1PRKCQSYKTTBK1TTBK2
SCHEMBL29330255 0.89 ESR1 (0.42) ESR1PRKCQSYKTTBK1TTBK2
SCHEMBL29329865 0.89 PRKCQ (0.43) ESR1CYP19A1PRKCQSYKKCNH2
SCHEMBL29330256 0.89 PRKCQ (0.41) ESR1CYP19A1PRKCQSYKMEN1
SCHEMBL29330251 0.87 SYK (0.41) ESR1PRKCQSYKMEN1KMT2A
SCHEMBL29329642 0.86 ABL1 (0.46) ESR1PRKCQSYKTTBK1TTBK2
SCHEMBL29330341 0.86 PRKCQ (0.39) ESR1PRKCQSYKMEN1KMT2A
SCHEMBL29330248 0.86 ESR1 (0.46) ESR1PRKCQSYKTTBK1TTBK2

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