SCHEMBL23970740

SCHEMBL23970740

CCc1nc(C2CC2)ccc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 11/20 0.40
MTOR P42345 2/20 0.30
IDO1 P14902 1/20 0.30
PIK3CA P42336 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL2609308 0.77 TLR9 (0.35) TRPV3TLR9TLR8TLR7
SCHEMBL17586750 0.77 TRPV3 (0.33) TRPV3TLR9TLR8TLR7
SCHEMBL25928017 0.75 TRPV3 (0.35) TRPV3TLR9TLR8TLR7
SCHEMBL23514896 0.75 KDM4E (0.35) TRPV3TLR9TLR8TLR7
SCHEMBL14349193 0.74 KDM4E (0.46)
SCHEMBL19699659 0.72 TRPV3 (0.37) TRPV3IDO1TLR9TLR8TLR7
SCHEMBL13273393 0.72 PDCD1LG2 (0.38) TRPV3TLR9TLR8TLR7
SCHEMBL2609319 0.72 CYP1A2 (0.33) TRPV3TLR9TLR8TLR7
SCHEMBL23970899 0.72 PARP1 (0.31)
SCHEMBL27342258 0.72

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-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed