SCHEMBL16249754

SCHEMBL16249754

CCCCCCCCCCCCc1ccc(O)c(N=[N+]=[N-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KAT8 Q9H7Z6 2/20 0.51
▸ PPARA Q07869 1/20 0.48
▸ PTGS2 P35354 3/20 0.47
▸ ESR1 P03372 2/20 0.47
▸ ADRA2A P08913 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ TACR2 P21452 2/20 0.47
▸ SLC6A2 P23975 2/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SHBG P04278 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HSPD1 P10809 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HSPE1 P61604 1/20 0.47

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
SCHEMBL28166642 0.78 KAT8 (0.56) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL11681430 0.77 KAT8 (0.51) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL11681434 0.77 KAT8 (0.51) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL7761737 0.76 IGF1R (0.76) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL10352944 0.76 IGF1R (0.76) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL2782711 0.76 IGF1R (0.76) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL11721061 0.76 IGF1R (0.76) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL70343 0.76 IGF1R (0.76) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL68207 0.76 IGF1R (0.76) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL11616856 0.76 IGF1R (0.76) KAT8PPARAPTGS2ESR1ADRA2A

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-2014185561-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH UCH-L1, CONTAINING SAME AS ACTIVE INGREDIENT 이화여자대학교 산학협력단 (KR) 2014-11-20 — — WO disclosed
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