SCHEMBL7142939

SCHEMBL7142939

NC(=O)c1cc(Sc2ccc([N+](=O)[O-])cc2)cc(Br)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 4/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.39
TERT O14746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DHFR P00374 1/20 0.38
CASP1 P29466 1/20 0.37
CDC7 O00311 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7136659 0.84 MAPT (0.56) MAPTKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL7142876 0.78 CYP3A4 (0.50) KMT2AMEN1TSHRSMN1; SMN2HTT
SCHEMBL7138708 0.78 MAPT (0.49) MAPTKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL7137054 0.76 HTR6 (0.49) KMT2AMEN1TSHRSMN1; SMN2HTT
SCHEMBL7142899 0.75 MAPT (0.51) MAPTKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL3079331 0.74 TSHR (0.79) MAPTKMT2AMEN1TSHRSMN1; SMN2
SCHEMBL7137064 0.71 MAPT (0.48) MAPTKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL4163474 0.71 MAPT (0.79) MAPTKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL3328543 0.71 MAPT (0.79) MAPTKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL13265968 0.70 TSHR (0.62) MAPTKMT2AMEN1TSHRSMN1; SMN2

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