SCHEMBL18802990

SCHEMBL18802990

CC(=O)N1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.72
USP18 Q9UMW8 2/20 0.58
UCHL5 Q9Y5K5 2/20 0.58
HSP90AA1 P07900 3/20 0.56
USP2 O75604 1/20 0.56
ACHE P22303 4/20 0.53
ALDH1A1 P00352 4/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 5/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATM Q13315 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 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
SCHEMBL14798453 0.84 CASP3 (1.00) CASP3USP18UCHL5HSP90AA1USP2
SCHEMBL14798452 0.84 CASP3 (1.00) CASP3USP18UCHL5HSP90AA1USP2
SCHEMBL29354956 0.84 CASP3 (1.00) CASP3USP18UCHL5HSP90AA1USP2
SCHEMBL17873942 0.84 CASP3 (1.00) CASP3USP18UCHL5HSP90AA1USP2
SCHEMBL22822868 0.82 HSP90AA1 (0.66) CASP3USP18UCHL5HSP90AA1USP2
SCHEMBL17885186 0.80 CASP3 (0.91) CASP3USP18UCHL5HSP90AA1USP2
SCHEMBL22823111 0.79 CASP3 (0.59) CASP3USP18UCHL5HSP90AA1USP2
SCHEMBL15944204 0.79 CASP3 (0.53) CASP3USP18UCHL5HSP90AA1USP2
SCHEMBL23489701 0.78 CASP3 (0.61) CASP3USP18UCHL5HSP90AA1USP2
SCHEMBL8373640 0.77 CYP1A2 (0.59) ACHEALDH1A1HPGDMAPTRAB9A

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-2756310-B1 PROTEASOME DEUBIQUITINATING INHIBITOR SCREENING VIVOLUX AB (SE) 2017-05-03 EP disclosed