SCHEMBL7092903

SCHEMBL7092903

O=C(Cc1cccs1)Nc1ccc(N2CCNCC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 9/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
CTDSP1 Q9GZU7 3/20 0.52
BLM P54132 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TP53 P04637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PKM P14618 1/20 0.52
ESR2 Q92731 2/20 0.51
HSD17B10 Q99714 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
THRB P10828 1/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL7152253 0.82 POLB (0.63) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6816361 0.73 POLB (0.73) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10813692 0.71 POLB (0.75) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10813685 0.71 POLB (0.75) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6651050 0.71 MEN1 (0.74) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23867550 0.70 POLB (0.76) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL19944328 0.70 POLB (0.73) POLBNPC1RAB9ASMN1; SMN2MAPT
Ammonia Solution, Strong SCHEMBL29042444 0.70 MEN1 (0.72) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13185637 0.68 POLB (0.70) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5206520 0.68 MEN1 (0.69) POLBNPC1RAB9ASMN1; SMN2MAPT

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-1341755-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GmbH (DE) 2003-09-10 EP claimed
WO-2002048099-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GMBH (DE) 2002-06-20 WO claimed