SCHEMBL7142272

SCHEMBL7142272

COc1cc(OC)cc(Sc2ccc([N+](=O)[O-])c(C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
G6PD P11413 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TSHR P16473 2/20 0.42
CYP19A1 P11511 1/20 0.42
HPGD P15428 2/20 0.41
PDE7A Q13946 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL28622224 0.86 MAPT (0.55) MAPTMEN1KMT2ATSHRHPGD
SCHEMBL6088806 0.82 MAPT (0.51) MAPTMEN1KMT2AMAPK1KDM4E
SCHEMBL7145684 0.78 PTGS1 (0.58) MAPTMEN1KMT2AMAPK1KDM4E
SCHEMBL6565670 0.78 HSD17B10 (0.52) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL30382526 0.77 ALDH1A1 (0.57) MAPTMAPK1KDM4ETSHRALDH1A1
SCHEMBL1897174 0.77 ALDH1A1 (0.57) MAPTMAPK1KDM4ETSHRALDH1A1
SCHEMBL29712919 0.77 IDO1 (0.49) MAPTMEN1KMT2AMAPK1TSHR
SCHEMBL7571419 0.74 ALDH1A1 (0.55) MAPTKDM4ETSHRPDE7AALDH1A1
SCHEMBL31361837 0.74 MAPT (0.53) MAPTMEN1KMT2AKDM4ETSHR
SCHEMBL6379066 0.74 MAPT (0.53) MAPTMEN1KMT2AKDM4ETSHR

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-0930302-B1 Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 2003-04-02 EP disclosed
US-5990105-A POSSESS A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; TREATING OR PREVENTING PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, DEPRESSIONS, NEUROLOGICAL DISORDERS, PARKINSON'S, AMYOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE HOFFMANN-LA ROCHE INC. (US) 1999-11-23 US disclosed
EP-0930302-A2 Benzosulfone derivatives F.HOFFMANN-LA ROCHE AG (CH) 1999-07-21 EP disclosed