SCHEMBL29696327

SCHEMBL29696327

Cc1nc(Nc2cnc(C(N)=NO)c(O)c2)oc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ IMPDH2 P12268 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL22925892 1.00 TRPV1 (0.43) TRPV1TRPM8NPSR1IMPDH2ALOX5
SCHEMBL29696350 0.82 TRPV1 (0.48) TRPV1NPSR1ALOX5
SCHEMBL22925745 0.82 TRPV1 (0.48) TRPV1NPSR1ALOX5
SCHEMBL22925905 0.82 PPARD (0.41) TRPV1TRPM8NPSR1IMPDH2GSK3B
SCHEMBL28733796 0.82 PPARD (0.41) TRPV1TRPM8NPSR1IMPDH2GSK3B
SCHEMBL22925757 0.75 NPSR1 (0.40) TRPV1NPSR1ALOX5MAPT
Hydrochloric Acid SCHEMBL29696306 0.74 NPSR1 (0.40) TRPV1NPSR1ALOX5MAPT
SCHEMBL22925727 0.73 TRPV1 (0.49) TRPV1TRPM8MAPT
SCHEMBL29621013 0.73 TRPV1 (0.49) TRPV1TRPM8MAPT
SCHEMBL22925746 0.72 NPSR1 (0.38) TRPV1NPSR1EGLN1

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
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP disclosed
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