SCHEMBL31398568

SCHEMBL31398568

CN(c1ccccc1)c1nc(Cl)nc(Nc2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
NFKB1 P19838 3/20 0.62
MAPT P10636 2/20 0.62
MEN1 O00255 1/20 0.62
MAPK1 P28482 1/20 0.62
LMNA P02545 1/20 0.58
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL30568815 1.00 KMT2A (0.62) KMT2ANFKB1MAPTMEN1MAPK1
SCHEMBL14264134 0.89 ALDH1A1 (0.71) KMT2ANFKB1MAPTMEN1MAPK1
SCHEMBL14264133 0.89 ALDH1A1 (0.66) KMT2ANFKB1MAPTMEN1MAPK1
SCHEMBL28451008 0.84 MAPT (0.66) KMT2ANFKB1MAPTMEN1MAPK1
SCHEMBL796429 0.82 ALDH1A1 (0.64) KMT2ANFKB1MAPTMEN1MAPK1
SCHEMBL8973771 0.82 ALDH1A1 (0.59) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL31398570 0.81 GAA (0.51) KMT2AMAPTMAPK1ALDH1A1HTT
SCHEMBL21914451 0.80 ALDH1A1 (0.54) KMT2AMAPTMEN1MAPK1LMNA
SCHEMBL30568797 0.79 KCNH3 (0.71) KMT2AALDH1A1CA1CA2CA9
SCHEMBL14118013 0.79 KMT2A (0.54) KMT2ANFKB1MAPTMEN1MAPK1

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