SCHEMBL31398569

SCHEMBL31398569

CC(C)S(=O)(=O)c1nc(N=[N+]=[N-])nc(N(C)c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR3C2 P08235 1/20 0.30
RIPK1 Q13546 1/20 0.30
APP P05067 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
SCHEMBL31398565 0.82 TSHR (0.40) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL31398591 0.76 CTSK (0.39) TSHRMAPK1APP
SCHEMBL31398576 0.76 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL31398599 0.76 TSHR (0.33) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL31398595 0.75 PDE5A (0.43) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL31398574 0.72 ALDH1A1 (0.49) MAPK1L3MBTL1
SCHEMBL31398571 0.72 GAA (0.36) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL9625851 0.67 NR3C2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL8974883 0.64 TSHR (0.53) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL23786203 0.60 TSHR (0.44) CYP1A2CYP3A4CYP2D6CYP2C9TSHR

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