SCHEMBL31400029

SCHEMBL31400029

[2H]c1c([2H])c([2H])c2nc(Sc3nnnn3CCO)c(Sc3nnnn3C)nc2c1[2H]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 4/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 12/20 0.36
PIP4K2C Q8TBX8 9/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 2/20 0.34
PAX8 Q06710 3/20 0.33
ADRB2 P07550 2/20 0.33
MITF O75030 2/20 0.33
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 3/20 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
SCHEMBL31399921 0.88 HTT (0.43) LMNAKMT2AALDH1A1HSD17B10TSHR
SCHEMBL31399982 0.85 HSD17B10 (0.36) LMNAKMT2AALDH1A1CYP1A2HSD17B10
SCHEMBL31399923 0.85 HTT (0.32) LMNAKMT2AALDH1A1CYP1A2HSD17B10
SCHEMBL31399916 0.85 HTT (0.32) LMNAKMT2AALDH1A1CYP1A2HSD17B10
SCHEMBL31399972 0.84 HSD17B10 (0.47) LMNAKMT2AALDH1A1CYP1A2HSD17B10
SCHEMBL31400002 0.78 HSD17B10 (0.39) LMNAKMT2AALDH1A1HSD17B10TSHR
SCHEMBL31399943 0.73 KDM4E (0.33) KMT2AALDH1A1HSD17B10MEN1L3MBTL1
SCHEMBL31399954 0.72 HSD17B10 (0.39) LMNAKMT2AALDH1A1HSD17B10TSHR
SCHEMBL31399964 0.70 TSHR (0.56) LMNAKMT2AALDH1A1HSD17B10TSHR
SCHEMBL4597345 0.65 KMT2A (0.80) LMNAKMT2AALDH1A1CYP1A2HSD17B10

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