SCHEMBL7450870

SCHEMBL7450870

O=S(=O)(c1cccc(-c2cccc(Cl)c2Cl)c1)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.56
MAPT P10636 2/20 0.51
AKR1C3 P42330 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PTGES2 Q9H7Z7 1/20 0.46
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
MYLK Q15746 1/20 0.45
CXCR2 P25025 1/20 0.45
USP2 O75604 1/20 0.45
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL6789467 0.81 MAPT (0.66) TDO2MAPTPKMMEN1KMT2A
SCHEMBL6792531 0.81 MAPT (0.57) TDO2MAPTPKMMEN1KMT2A
SCHEMBL654409 0.79 MEN1 (0.73) MAPTPKMMEN1KMT2AALDH1A1
SCHEMBL6798179 0.73 MBTD1 (0.59) TDO2MAPTPKMMEN1KMT2A
SCHEMBL30754642 0.73 TDO2 (0.60) TDO2MAPTPKMMEN1KMT2A
SCHEMBL13365285 0.73 ALDH1A1 (0.59) TDO2MAPTPKMMEN1KMT2A
SCHEMBL16814444 0.73 TDO2 (0.49) TDO2MAPTPKMMEN1KMT2A
SCHEMBL13489662 0.72 MAPT (0.70) MAPTPKMALDH1A1MAPK1USP2
SCHEMBL16026638 0.72 MAPT (0.59) TDO2MAPTPKMMEN1KMT2A
SCHEMBL18509578 0.72 TDO2 (1.00) TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 WO disclosed