SCHEMBL7302129

SCHEMBL7302129

O=[N+]([O-])c1ccccc1Nc1c(O)ccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
MAPT P10636 4/20 0.62
KDM4E B2RXH2 3/20 0.62
MAPK1 P28482 3/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 2/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CASP7 P55210 1/20 0.50
CTSB P07858 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
KCNMA1 Q12791 1/20 0.46
ASPH Q12797 1/20 0.45
KDM8 Q8N371 1/20 0.45
HPRT1 P00492 1/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL9120276 0.81 KCNMA1 (0.55) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL4940897 0.79 ALDH1A1 (0.65) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL29061899 0.78 HSD17B10 (0.53) MEN1KMT2AKDM4ERAB9AGAA
Ammonia Solution, Strong SCHEMBL27766738 0.77 ALDH1A1 (0.62) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL9120292 0.75 MEN1 (0.65) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL1863070 0.75 KMT2A (1.00) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL7302607 0.74 KDM1A (0.54) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL397773 0.74 MAPK1 (0.77) MEN1KMT2AMAPTMAPK1RAB9A
SCHEMBL4593816 0.74 CDC25B (0.61) MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL12527917 0.73 KCNMA1 (0.51) MEN1KMT2AMAPTKDM4ERAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520200-B1 Imidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1998-02-18 EP disclosed
US-5210091-A Calcium channel blockers used in treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1993-05-11 US disclosed
EP-0520200-A2 Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1992-12-30 EP disclosed