SCHEMBL8631382

SCHEMBL8631382

NP(N)(=O)NC(=O)c1sc2ccccc2c1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.70
HDAC1 Q13547 1/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
RAB9A P51151 9/20 0.59
NPC1 O15118 8/20 0.59
MCL1 Q07820 1/20 0.59
MAPT P10636 10/20 0.57
SMN1; SMN2 Q16637 9/20 0.57
TP53 P04637 3/20 0.57
RXFP1 Q9HBX9 1/20 0.57
ALDH1A1 P00352 8/20 0.54
GAA P10253 2/20 0.54
CD274 Q9NZQ7 1/20 0.54
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 4/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 2/20 0.53

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
SCHEMBL6477287 0.83 OGG1 (1.00) OGG1HDAC1HDAC8HDAC6RAB9A
SCHEMBL1886020 0.81 HDAC1 (1.00) OGG1HDAC1HDAC8HDAC6RAB9A
SCHEMBL8631349 0.80 RAB9A (0.66) RAB9ANPC1MCL1MAPTSMN1; SMN2
SCHEMBL7984062 0.80 HDAC1 (0.79) OGG1HDAC1HDAC8HDAC6RAB9A
SCHEMBL8631381 0.80 OGG1 (0.43) OGG1HDAC1HDAC8HDAC6RAB9A
SCHEMBL7675240 0.77 MCL1 (0.71) OGG1HDAC1HDAC8HDAC6RAB9A
SCHEMBL5935569 0.77 MAPT (0.79) OGG1HDAC1HDAC8HDAC6RAB9A
SCHEMBL7088656 0.77 MCL1 (0.76) OGG1HDAC1HDAC8HDAC6RAB9A
SCHEMBL10148327 0.77 OGG1 (0.71) OGG1HDAC1HDAC8HDAC6RAB9A
SCHEMBL12768191 0.76 HDAC1 (0.68) OGG1HDAC1HDAC8HDAC6RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed