SCHEMBL994448

SCHEMBL994448

CC(OC(N)=O)c1ccc(/N=N/c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
RAB9A P51151 6/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 1/20 0.46
TRPA1 O75762 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
CYP1A2 P05177 2/20 0.41
ALOX5 P09917 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL994450 1.00 MAPT (0.46) MAPTRAB9AL3MBTL1CASP3SENP8
SCHEMBL6478149 0.84 HCAR2 (0.58) KMT2ASMN1; SMN2ALDH1A1LMNAHCAR2
SCHEMBL5956415 0.84 HCAR2 (0.58) KMT2ASMN1; SMN2ALDH1A1LMNAHCAR2
SCHEMBL27820414 0.84 HCAR2 (0.58) KMT2ASMN1; SMN2ALDH1A1LMNAHCAR2
SCHEMBL264866 0.84 HCAR2 (0.58) KMT2ASMN1; SMN2ALDH1A1LMNAHCAR2
Methane SCHEMBL10711774 0.83 HCAR2 (0.56) KMT2ASMN1; SMN2ALDH1A1LMNAHCAR2
Hydrochloric Acid SCHEMBL27791121 0.83 HCAR2 (0.56) KMT2ASMN1; SMN2ALDH1A1LMNAHCAR2
Hydrogen Sulfide SCHEMBL27486651 0.83 HCAR2 (0.56) KMT2ASMN1; SMN2ALDH1A1LMNAHCAR2
SCHEMBL14856086 0.81 PTGS2 (0.55) MAPTSMN1; SMN2HCAR2CYP1A2ALOX5
SCHEMBL2637286 0.80 MAPT (0.43) MAPTRAB9AL3MBTL1CASP3SENP8

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121072-A1 CYCLIC SULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF Amathus Therapeutics, Inc. (US) 2023-01-25 EP disclosed
WO-2021188911-A1 CYCLIC SULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
EP-3773683-A1 AZIDE INSULIN ANALOGUES Merck Sharp&Dohme Corp. (US) 2021-02-17 EP disclosed
WO-2019199628-A1 AZIDE INSULIN ANALOGUES MERCK SHARP & DOHME CORP. (US) 2019-10-17 WO disclosed
EP-2453908-A2 BIFUNCTIONAL STAPLED POLYPEPTIDES AND USES THEREOF President and Fellows of Harvard College (US) 2012-05-23 EP disclosed
EP-2331525-A2 HALOFUGINONE ANALOGS FOR INHIBITION OF TRNA SYNTHETASES AND USES THEREOF President and Fellows of Harvard College (US) 2011-06-15 EP disclosed
WO-2011008260-A2 BIFUNCTIONAL STAPLED POLYPEPTIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-20 WO disclosed
WO-2010019210-A2 HALOFUGINONE ANALOGS FOR INHIBITION OF TRNA SYNTHETASES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-02-18 WO disclosed