SCHEMBL4030546

SCHEMBL4030546

Cc1noc(-c2cccc([N+](=O)[O-])c2)c1NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 1/20 0.44
EDNRA P25101 1/20 0.44
POLB P06746 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4030555 1.00 MAPT (0.47) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL4030354 0.85 MAPT (0.48) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL4033303 0.84 LPAR1 (0.74) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL4034814 0.82 MAPT (0.53) MAPTKDM4ERAB9ANPC1LPAR1
SCHEMBL4035675 0.80 MAPT (0.67) MAPTMEN1KMT2AKDM4ELPAR1
SCHEMBL4030049 0.80 MAPT (0.60) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL4037473 0.80 MAPT (0.51) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL11520909 0.79 ALDH1A1 (0.47) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL4033687 0.79 LPAR1 (0.62) MAPTMEN1KMT2AKDM4ELPAR1
SCHEMBL4031711 0.77 MAPT (0.51) MAPTKDM4ELPAR1LPAR3ALDH1A1

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
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed