SCHEMBL8534896

SCHEMBL8534896

CNC(=O)Nc1nc2ccccc2s1.CNC(=O)Nc1nc2ccccc2s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.71
DYRK1A Q13627 1/20 0.71
NPC1 O15118 11/20 0.71
RAB9A P51151 11/20 0.71
SMN1; SMN2 Q16637 6/20 0.71
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
MAPT P10636 3/20 0.70
NFKB1 P19838 3/20 0.70
NFKB2 Q00653 3/20 0.70
RELA Q04206 3/20 0.70
GAA P10253 2/20 0.70
ACP1 P24666 1/20 0.65
ALDH1A1 P00352 4/20 0.61
PKM P14618 1/20 0.60
PAX8 Q06710 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 2/20 0.60
POLB P06746 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL133638 1.00 ADORA1 (0.71) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL27634788 0.90 NPC1 (0.84) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL32674581 0.90 NPC1 (0.84) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL9160858 0.84 NPC1 (0.70) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL3283083 0.83 DYRK1A (1.00) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL161765 0.83 NPC1 (0.66) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL6228486 0.83 NPC1 (0.66) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL1842324 0.83 NPC1 (1.00) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL11712929 0.83 NPC1 (0.73) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL1143751 0.83 NPC1 (1.00) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2

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-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 EP disclosed
US-5688745-A Arylsulfonylureas and their use as herbicides and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed