SCHEMBL8317204

SCHEMBL8317204

CN(C)S(=O)(=O)c1ccc2c(c1)CC(Br)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 3/20 0.39
VCAM1 P19320 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
METAP1 P53582 5/20 0.39
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RGS12 O14924 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
CYP1A2 P05177 1/20 0.36
FYN P06241 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
SCHEMBL6972986 0.73 METAP1 (0.54) HTR2CHTR2BMETAP1
SCHEMBL8319317 0.72 HTR2C (0.54) HTR2CHTR2BMAPTTSHRALDH1A1
SCHEMBL4462617 0.72 METAP1 (0.58) HTR2CHTR2BTSHRALDH1A1KDM4E
SCHEMBL6205723 0.71 PNMT (0.40)
SCHEMBL8555030 0.71 METAP1 (0.54) METAP1
Dimethylformamide SCHEMBL7845290 0.71 METAP1 (0.52) HTR2CHTR2BMETAP1LMNA
SCHEMBL30666697 0.69 METAP1 (0.53) HTR2CHTR2BMETAP1
SCHEMBL1238953 0.69 ACHE (0.46) HTR2CHTR2BMETAP1
SCHEMBL30666881 0.69 ACHE (0.46) HTR2CHTR2BMETAP1
SCHEMBL2370122 0.69 METAP1 (0.53) HTR2CHTR2BMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630242-B1 FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY WELLCOME FOUND (GB) 1999-01-20 EP claimed
US-5547976-A VIRICIDES, HERPES VIRUS, CYTOMEGALOVIRUS; CARDIOVASCULAR DISORDERS BURROUGHS WELLCOME CO. (US) 1996-08-20 US claimed
EP-0752991-B1 IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZIN-4-ONES ANTAGONISTS OF AMPA AND NMDA RECEPTORS RHONE POULENC RORER SA (FR) 1999-05-26 EP disclosed
US-5789406-A Indeno 1,2-E!pyrazine-4-ones, their preparation and the medicaments containing them RHONE-POULENC RORER S.A. (FR) 1998-08-04 US disclosed
EP-0752991-A1 INDENO[1,2-e]PYRAZINE-4-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-01-15 EP disclosed
WO-1995026349-A1 INDENO[1,2-e]PYRAZINE-4-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1995-10-05 WO disclosed