SCHEMBL31398595

SCHEMBL31398595

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPK1 P28482 1/20 0.35
ABCG2 Q9UNQ0 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
APP P05067 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32

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 0.88 TSHR (0.40) PDE5AL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL31398571 0.77 GAA (0.36) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31398574 0.77 ALDH1A1 (0.49) L3MBTL1MAPK1KMT2AMEN1KDM4E
SCHEMBL31398591 0.76 CTSK (0.39) TSHRMAPK1KMT2AAPPKDM4E
SCHEMBL31398599 0.76 TSHR (0.33) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31398576 0.76 CYP1A2 (0.33) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31398569 0.75 CYP1A2 (0.32) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8974883 0.69 TSHR (0.53) PDE5AL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL31398592 0.65 MAPT (0.48) L3MBTL1TSHRKMT2AMEN1APP
SCHEMBL14274943 0.64 MEN1 (0.55) PDE5AL3MBTL1CYP1A2CYP3A4CYP2D6

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