SCHEMBL31399982

SCHEMBL31399982

[2H]c1c([2H])c([2H])c2nc(Sc3nnnn3CCO)c(Sc3nncn3C)nc2c1[2H]

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
HBB P68871 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL31399943 0.87 KDM4E (0.33) HSD17B10KDM4EKMT2AMEN1USP2
SCHEMBL31400029 0.85 LMNA (0.36) HSD17B10KDM4EKMT2ALMNAMEN1
SCHEMBL31400002 0.84 HSD17B10 (0.39) HSD17B10KDM4EKMT2ALMNAMEN1
SCHEMBL31399954 0.79 HSD17B10 (0.39) HSD17B10KDM4EKMT2ALMNAMEN1
SCHEMBL31399923 0.74 HTT (0.32) HSD17B10KMT2ALMNAMEN1ALDH1A1
SCHEMBL31399916 0.74 HTT (0.32) HSD17B10KMT2ALMNAMEN1ALDH1A1
SCHEMBL31399921 0.72 HTT (0.43) HSD17B10KDM4EKMT2ALMNAMEN1
SCHEMBL31400041 0.71 HSD17B10 (0.35) HSD17B10KDM4EKMT2AMEN1USP2
SCHEMBL31399972 0.70 HSD17B10 (0.47) HSD17B10KMT2ALMNAMEN1ALDH1A1
SCHEMBL31399926 0.66 HSD17B10 (0.64) HSD17B10KDM4EKMT2ALMNAMEN1

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-2025021868-A1 TRAF2 INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2025-01-30 WO disclosed