SCHEMBL31398591

SCHEMBL31398591

CC(C)Nc1nc(N=[N+]=[N-])nc(N(C)c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
KCNH3 Q9ULD8 4/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 2/20 0.36
APP P05067 3/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
HTR7 P34969 1/20 0.34
ATM Q13315 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
SCHEMBL31398565 0.84 TSHR (0.40) MAPK1TSHRKMT2AALOX15APP
SCHEMBL31398574 0.84 ALDH1A1 (0.49) MAPK1KCNH3ALDH1A1KDM4EGAA
SCHEMBL31398599 0.78 TSHR (0.33) MAPK1TSHRAPP
SCHEMBL31398576 0.78 CYP1A2 (0.33) MAPK1TSHRALDH1A1KMT2AAPP
SCHEMBL31398595 0.76 PDE5A (0.43) MAPK1TSHRALDH1A1KDM4EKMT2A
SCHEMBL31398570 0.76 GAA (0.51) MAPK1TSHRKCNH3ALDH1A1KDM4E
SCHEMBL31398569 0.76 CYP1A2 (0.32) MAPK1TSHRAPP
SCHEMBL30568797 0.75 KCNH3 (0.71) CTSKKCNH3ALDH1A1KDM4EGAA
SCHEMBL31398571 0.73 GAA (0.36) MAPK1TSHRALDH1A1GAAKMT2A
SCHEMBL25764720 0.70 GAA (0.37) MAPK1KCNH3ALDH1A1KDM4EGAA

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-2025040698-A1 AZIDO-SUBSTITUTED HETEROAROMATIC ADDITIVES FOR PREPARING RECYCLABLE POLYMER COMPOSITIONS AND FOR UPCYCLING PLASTICS WASTES PARIS SCIENCES ET LETTRES (FR) 2025-02-27 WO disclosed