SCHEMBL22925717

SCHEMBL22925717

Cc1ccc(-c2cnc(Nc3ncc(/C(N)=N\O)cn3)o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.44
▸ TRPV1 Q8NER1 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ KDR P35968 6/20 0.41
▸ FLT1 P17948 5/20 0.41
▸ FLT4 P35916 5/20 0.41
▸ IMPDH2 P12268 2/20 0.39
▸ VCP P55072 3/20 0.39
▸ ACHE P22303 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL22925713 1.00 HDAC1 (0.44) HDAC1TRPV1ALOX5KDRFLT1
SCHEMBL22925710 0.85 TRPV1 (0.47) HDAC1TRPV1ALOX5KDRFLT1
SCHEMBL28939281 0.85 TRPV1 (0.47) HDAC1TRPV1ALOX5KDRFLT1
SCHEMBL22925942 0.85 TRPV1 (0.47) HDAC1TRPV1ALOX5KDRFLT1
SCHEMBL24636947 0.79 ALOX5 (0.47) TRPV1ALOX5KDRFLT1FLT4
SCHEMBL22925716 0.74 KDR (0.49) HDAC1TRPV1ALOX5KDRFLT1
SCHEMBL22926117 0.71 TRPV1 (0.45) HDAC1TRPV1ALOX5KDRFLT1
Hydrochloric Acid SCHEMBL31707411 0.71 TRPV1 (0.45) HDAC1TRPV1ALOX5KDRFLT1
SCHEMBL22925593 0.68 ALOX5 (0.43) ALOX5KDRFLT1FLT4IMPDH2
SCHEMBL22925699 0.67 VCP (0.60) TRPV1ALOX5KDRFLT1FLT4

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-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 — — WO disclosed
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