SCHEMBL29328997

SCHEMBL29328997

CC(Oc1cc(C#N)nc(Nc2ccc3cc[nH]c3c2)c1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.37
GALR2 O43603 4/20 0.37
GALR1 P47211 4/20 0.37
ESR1 P03372 2/20 0.36
SYK P43405 2/20 0.35
RXFP2 Q8WXD0 1/20 0.35
CTSK P43235 2/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
RET P07949 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
PRKCD Q05655 1/20 0.33
CDC7 O00311 1/20 0.33
S1PR1 P21453 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
SCHEMBL29329002 0.85 SYK (0.38) PRKCQGALR2GALR1ESR1SYK
SCHEMBL29329117 0.82 CDK2 (0.39) PRKCQESR1SYKPRKCD
SCHEMBL29331087 0.82 PRKCQ (0.36) PRKCQESR1SYKRXFP2CTSK
SCHEMBL29329935 0.81 SCN5A (0.39) PRKCQGALR2GALR1ESR1SYK
SCHEMBL29330247 0.81 NFE2L2 (0.38) PRKCQESR1SYKCTSSRET
SCHEMBL29329367 0.80 PRKCQ (0.40) PRKCQESR1SYKRETMAPT
SCHEMBL29330425 0.78 ESR1 (0.42) PRKCQESR1SYKRETPOLB
SCHEMBL29329004 0.77 PRKCQ (0.38) PRKCQESR1SYKCTSSRET
SCHEMBL29330567 0.77 PRKCQ (0.45) PRKCQESR1SYKRETPOLB
SCHEMBL22803670 0.75 ESR1 (0.44) PRKCQESR1SYKRET

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