SCHEMBL31144950

SCHEMBL31144950

COCCn1cnc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PDE4A P27815 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 2/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL17008897 0.83 MEN1 (0.44) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL31144882 0.79 KDM4E (0.57) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL1912821 0.75 MAPT (0.66) MAPTLMNAKMT2AMEN1NPSR1
SCHEMBL31144985 0.75 POLB (0.37) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL30632281 0.73 KDM4E (0.56) MAPTLMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL31144951 0.72 LMNA (0.40) LMNAKMT2AMEN1KDM4EPDE4A
SCHEMBL31144864 0.71 MEN1 (0.49) MAPTKMT2AMEN1KDM4EADORA2A
SCHEMBL31492953 0.67 MEN1 (0.46) MAPTKMT2AMEN1NPSR1PDE4A
SCHEMBL19010741 0.67 L3MBTL1 (0.39) MAPTLMNASMN1; SMN2RAB9AALDH1A1
SCHEMBL23657286 0.66 MAPT (0.58) MAPTLMNAKMT2AMEN1KDM4E

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-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 WO disclosed