SCHEMBL7152253

SCHEMBL7152253

O=C(Cc1cccs1)Nc1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.63
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
MAPT P10636 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
CTDSP1 Q9GZU7 3/20 0.59
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
BLM P54132 2/20 0.59
PKM P14618 1/20 0.59
ESR2 Q92731 2/20 0.58
HSD17B10 Q99714 2/20 0.58
HPGD P15428 1/20 0.58
USP2 O75604 1/20 0.58
GAA P10253 1/20 0.58
THRB P10828 1/20 0.58
APEX1 P27695 1/20 0.58
RECQL P46063 1/20 0.58

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
SCHEMBL7092903 0.82 POLB (0.60) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7148309 0.81 MAPT (0.68) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7153529 0.80 NPC1 (0.69) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7150779 0.78 HTT (0.63) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1268314 0.78 POLB (0.54) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5163049 0.77 NAMPT (0.48) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL7154056 0.77 ALDH1A1 (0.66) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5443184 0.75 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1HPGDTP53
SCHEMBL6816361 0.75 POLB (0.73) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7088328 0.74 MAPT (0.68) NPC1RAB9AMAPTSMN1; SMN2MEN1

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-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO disclosed