SCHEMBL9026367

SCHEMBL9026367

CCCCC(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GPR35 Q9HC97 5/20 0.44
TDP1 Q9NUW8 5/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 3/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 2/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL9026356 0.84 ALDH1A1 (0.41) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL2334446 0.83 HTT (0.41) ALDH1A1TDP1MAPTKMT2AHPGD
SCHEMBL17780855 0.76 L3MBTL1 (0.43) GPR35TDP1KMT2AHPGDMEN1
SCHEMBL10785960 0.75 GPR35 (0.52) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL6691280 0.74 CA2 (0.43) ALDH1A1MAPTKMT2AHPGDMEN1
SCHEMBL10447225 0.74 ALDH1A1 (0.46) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL9679025 0.74 HTT (0.40) ALDH1A1TDP1MAPTKMT2AHPGD
SCHEMBL1852428 0.74 GPR35 (0.48) ALDH1A1GPR35TDP1MAPTMAPK1
SCHEMBL9392854 0.73 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL14255186 0.73 MAPT (0.45) ALDH1A1GPR35TDP1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed