SCHEMBL31398571

SCHEMBL31398571

CN(c1ccccc1)c1nc(N=[N+]=[N-])nc(Oc2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PAX8 Q06710 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
GFER P55789 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MERTK Q12866 3/20 0.33
USP2 O75604 2/20 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 0.85 TSHR (0.40) LMNAKMT2AMAPK1CYP1A2CYP2D6
SCHEMBL31398576 0.84 CYP1A2 (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL30017663 0.82 PAX8 (0.49) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL14264139 0.82 ALDH1A1 (0.49) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL31398595 0.77 PDE5A (0.43) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31398581 0.75 ALDH1A1 (0.45) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL31398574 0.74 ALDH1A1 (0.49) GAAALDH1A1MEN1KMT2AMAPK1
SCHEMBL31398599 0.73 TSHR (0.33) MAPK1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL31398591 0.73 CTSK (0.39) GAAALDH1A1KMT2AMAPK1TSHR
SCHEMBL31398569 0.72 CYP1A2 (0.32) MAPK1CYP1A2CYP2D6CYP2C19TSHR

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