SCHEMBL9770478

SCHEMBL9770478

O=C1c2ccccc2C(=O)N1COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.54
MGAM O43451 3/20 0.50
GAA P10253 3/20 0.50
SI P14410 3/20 0.50
MGAM2 Q2M2H8 3/20 0.50
RPS6KA2 Q15349 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL11030316 0.92 SCN2A (0.47) SCN2AMGAMGAASIMGAM2
SCHEMBL9449164 0.85 HPGD (0.67) SCN2APOLBPKMDRD2DRD4
SCHEMBL9337119 0.84 RAB9A (0.68) SCN2APOLBPKMDRD2DRD4
SCHEMBL8488827 0.83 RAB9A (0.62) POLBPKMDRD2DRD4DRD3
SCHEMBL31573183 0.81 HTT (0.57) POLBPKMDRD2DRD4DRD3
SCHEMBL9770647 0.80 RAB9A (0.66) MGAMGAASIMGAM2RPS6KA2
SCHEMBL10603968 0.80 KMT2A (0.69) SCN2AGAAPOLBPKMDRD4
SCHEMBL9770595 0.78 PARL (0.47) PKMLMNAALDH1A1
SCHEMBL9770552 0.78 RAB9A (0.71) MGAMGAASIMGAM2RPS6KA2
SCHEMBL7278262 0.77 CA12 (0.67) HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001115-A Prodrugs of biologically active hydroxyaromatic compounds UNIVERSITY OF FLORIDA (US) 1991-03-19 US disclosed
EP-0059269-B1 PHOTOGRAPHIC ELEMENTS CONTAINING BLOCKED DYES OR BLOCKED DYE RELEASING COMPOUNDS AND PROCESSES FOR USING THEM EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-05-22 EP disclosed
US-4363865-A COLOR FILMS; LIGHT SENSITIVE ELEMENTS; PROCESS CONTROL EASTMAN KODAK COMPANY (US) 1982-12-14 US disclosed
EP-0059269-A2 Photographic elements containing blocked dyes or blocked dye releasing compounds and processes for using them EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1982-09-08 EP disclosed