SCHEMBL6789467

SCHEMBL6789467

O=S(=O)(c1cccc(-c2ccc(Cl)cc2)c1)N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.66
▸ USP2 O75604 2/20 0.54
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ TDO2 P48775 1/20 0.52
▸ HTT P42858 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ IKBKB O14920 1/20 0.47
▸ CHUK O15111 1/20 0.47
▸ HTR6 P50406 3/20 0.47
▸ LSS P48449 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ MAPK1 P28482 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
SCHEMBL6792531 0.89 MAPT (0.57) MAPTUSP2MEN1KMT2AALDH1A1
SCHEMBL654409 0.84 MEN1 (0.73) MAPTUSP2MEN1KMT2AALDH1A1
SCHEMBL7450870 0.81 TDO2 (0.56) MAPTUSP2MEN1KMT2AALDH1A1
SCHEMBL654548 0.80 MAPT (1.00) MAPTUSP2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3253197 0.79 MAPT (0.96) MAPTUSP2MEN1KMT2AALDH1A1
SCHEMBL6797955 0.78 MAPT (0.71) MAPTUSP2MEN1KMT2AALDH1A1
SCHEMBL4225535 0.77 ALDH1A1 (0.72) MAPTUSP2MEN1KMT2AALDH1A1
SCHEMBL5204276 0.75 PKM (0.73) MAPTUSP2MEN1KMT2AALDH1A1
SCHEMBL20993843 0.75 DHCR7 (0.62) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6798179 0.75 MBTD1 (0.59) MAPTMEN1KMT2AALDH1A1PKM

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
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 — — US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 — — US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 — — US disclosed
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
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