SCHEMBL8631381

SCHEMBL8631381

NP(N)(=O)NC(=O)c1sc(Cl)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MCL1 Q07820 1/20 0.37
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
MAPT P10636 8/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
TP53 P04637 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
LIMK1 P53667 2/20 0.33

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
SCHEMBL8709448 0.82 RAB9A (0.41) MCL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8631382 0.80 OGG1 (0.70) OGG1HDAC1HDAC8HDAC6MCL1
SCHEMBL7970697 0.76 MCL1 (0.58) OGG1HDAC1HDAC8HDAC6MCL1
SCHEMBL4650792 0.74 MCL1 (0.43) OGG1HDAC1HDAC8HDAC6MCL1
Hydrochloric Acid SCHEMBL27544067 0.74 MCL1 (0.56) OGG1HDAC1HDAC8HDAC6MCL1
SCHEMBL4651926 0.71 ALDH1A1 (0.53) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL10935722 0.71 PLK1 (0.43) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL8631451 0.69 GAA (0.51) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL8629681 0.67 F2 (0.57) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL8629918 0.67 KMT2A (0.38) NPC1RAB9AMAPTKMT2AALDH1A1

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