SCHEMBL30258384

SCHEMBL30258384

Nc1ccccc1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.64
ALDH1A1 P00352 7/20 0.62
KMT2A Q03164 4/20 0.62
PKM P14618 1/20 0.60
KDM4E B2RXH2 4/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 2/20 0.56
GLA P06280 1/20 0.56
GAA P10253 2/20 0.52
MAPT P10636 4/20 0.52
PPARG P37231 1/20 0.51
ALOX5 P09917 1/20 0.50
HGFAC Q04756 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
CFTR P13569 1/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47

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
SCHEMBL4256409 1.00 RAB9A (0.64) RAB9AALDH1A1KMT2APKMKDM4E
SCHEMBL9861291 0.85 HSD17B10 (0.71) RAB9AALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL28491071 0.83 KMT2A (0.62) ALDH1A1KMT2APKMKDM4EHPGD
SCHEMBL2823735 0.83 ALDH1A1 (0.68) ALDH1A1KMT2APKMKDM4EHSD17B10
SCHEMBL28238437 0.82 ALDH1A1 (0.55) ALDH1A1KMT2APKMKDM4EHPGD
SCHEMBL11873963 0.82 ALDH1A1 (0.55) RAB9AALDH1A1KMT2APKMKDM4E
SCHEMBL754748 0.82 KMT2A (0.59) ALDH1A1KMT2APKMKDM4EHPGD
SCHEMBL19120252 0.81 ALDH1A1 (0.54) RAB9AALDH1A1KMT2APKMKDM4E
SCHEMBL8624820 0.81 RAB9A (0.63) RAB9AALDH1A1KMT2APKMHSD17B10
SCHEMBL4452103 0.81 ALDH1A1 (0.53) RAB9AALDH1A1KMT2APKMKDM4E

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-4127157-A1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2023-02-08 EP disclosed