SCHEMBL31398565

SCHEMBL31398565

CN(c1ccccc1)c1nc(N=[N+]=[N-])nc(N(C)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
APP P05067 2/20 0.38
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
MERTK Q12866 1/20 0.33
PDE5A O76074 1/20 0.33
AURKA O14965 1/20 0.33
SRC P12931 1/20 0.33
GSK3B P49841 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL31398595 0.88 PDE5A (0.43) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL31398574 0.85 ALDH1A1 (0.49) L3MBTL1MAPK1KMT2ANPC1RAB9A
SCHEMBL31398571 0.85 GAA (0.36) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL31398591 0.84 CTSK (0.39) TSHRMAPK1APPKMT2AALOX15
SCHEMBL31398599 0.84 TSHR (0.33) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL31398576 0.84 CYP1A2 (0.33) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL31398569 0.82 CYP1A2 (0.32) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL8974883 0.80 TSHR (0.53) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL10099644 0.72 ALDH1A1 (0.55) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL8973771 0.71 ALDH1A1 (0.59) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6

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