SCHEMBL31400002

SCHEMBL31400002

[2H]c1c([2H])c([2H])c2nc(Sc3nnnn3C)c(Sc3nncn3C)nc2c1[2H]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.39
KDM4E B2RXH2 3/20 0.39
TSHR P16473 2/20 0.37
HTT P42858 14/20 0.36
PIP4K2C Q8TBX8 10/20 0.36
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
CASP1 P29466 1/20 0.34
HBB P68871 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MITF O75030 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL31399954 0.94 HSD17B10 (0.39) HSD17B10KDM4ETSHRHTTPIP4K2C
SCHEMBL31399921 0.89 HTT (0.43) HSD17B10KDM4ETSHRHTTPIP4K2C
SCHEMBL31400041 0.86 HSD17B10 (0.35) HSD17B10KDM4ETSHRHTTPIP4K2C
SCHEMBL31399982 0.84 HSD17B10 (0.36) HSD17B10KDM4EALDH1A1MEN1HPGD
SCHEMBL31399945 0.84 HSD17B10 (0.54) HSD17B10KDM4ETSHRHTTPIP4K2C
SCHEMBL31400029 0.78 LMNA (0.36) HSD17B10KDM4ETSHRHTTPIP4K2C
SCHEMBL31399943 0.72 KDM4E (0.33) HSD17B10KDM4EALDH1A1MEN1HPGD
SCHEMBL16018117 0.72 ALDH1A1 (0.46) HSD17B10KDM4EHTTPIP4K2CALDH1A1
SCHEMBL31399964 0.70 TSHR (0.56) HSD17B10TSHRHTTPIP4K2CALDH1A1
SCHEMBL31399926 0.70 HSD17B10 (0.64) HSD17B10KDM4EHTTALDH1A1MEN1

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