SCHEMBL8026426

SCHEMBL8026426

N#Cc1ccc(Cc2oc3cc(NS(=O)(=O)c4cccc5cccnc45)ccc3c2Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
PKM P14618 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 4/20 0.46
F2 P00734 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.45
PKLR P30613 2/20 0.45
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
GLO1 Q04760 1/20 0.42
TP53 P04637 1/20 0.42
HDAC1 Q13547 1/20 0.41
TYMS P04818 1/20 0.41

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
SCHEMBL8016188 0.90 ALDH1A1 (0.49) MEN1KMT2APKMTDP1GAA
Hydrochloric Acid SCHEMBL8016588 0.85 F2 (0.63) MEN1KMT2APKMTDP1GAA
SCHEMBL6641313 0.82 MEN1 (0.48) MEN1KMT2APKMTDP1GAA
SCHEMBL6638995 0.78 PKM (0.49) MEN1KMT2APKMTDP1GAA
SCHEMBL8026354 0.77 F2 (0.74) MEN1KMT2APKMGAAALDH1A1
SCHEMBL6635303 0.76 PKM (0.51) MEN1KMT2APKMTDP1GAA
SCHEMBL8030596 0.76 F2 (0.41) PKMGAAALDH1A1F2MAPT
SCHEMBL8030716 0.75 PKM (0.62) MEN1KMT2APKMTDP1GAA
Hydrochloric Acid SCHEMBL8031426 0.75 F2 (0.65) MEN1KMT2APKMTDP1GAA
SCHEMBL8026334 0.75 F2 (0.55) MEN1KMT2APKMGAAALDH1A1

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-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed