SCHEMBL5458121

SCHEMBL5458121

NC(=S)Nc1nc(-c2cccs2)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.65
KDM4E B2RXH2 3/20 0.65
MAPK1 P28482 3/20 0.65
HSD17B10 Q99714 2/20 0.65
MEN1 O00255 12/20 0.59
KMT2A Q03164 12/20 0.59
MAPT P10636 10/20 0.59
ALDH1A1 P00352 4/20 0.59
VCP P55072 1/20 0.59
LMNA P02545 6/20 0.56
F2 P00734 2/20 0.56
HTT P42858 2/20 0.56
TP53 P04637 2/20 0.56
TSHR P16473 3/20 0.56
SMN1; SMN2 Q16637 7/20 0.55
RAB9A P51151 7/20 0.55
HPGD P15428 2/20 0.54
ALOX15 P16050 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL13842694 0.79 NPC1 (1.00) NPC1KDM4EMAPK1HSD17B10MEN1
SCHEMBL2380683 0.78 KMT2A (0.61) NPC1MAPK1HSD17B10MEN1KMT2A
SCHEMBL11038508 0.78 NPC1 (0.72) NPC1KDM4EMAPK1HSD17B10MEN1
SCHEMBL11042883 0.78 NPC1 (0.72) NPC1KDM4EMAPK1HSD17B10MEN1
SCHEMBL12569881 0.76 NPC1 (0.65) NPC1KDM4EMAPK1HSD17B10MEN1
SCHEMBL19122688 0.75 NPC1 (0.68) NPC1KDM4EMAPK1HSD17B10MEN1
SCHEMBL13015638 0.75 NPC1 (0.72) NPC1KDM4EMAPK1HSD17B10MEN1
SCHEMBL4536179 0.75 MEN1 (1.00) NPC1KDM4EMAPK1HSD17B10MEN1
SCHEMBL2779967 0.75 MEN1 (1.00) NPC1KDM4EMEN1KMT2AMAPT
SCHEMBL21484844 0.72 MEN1 (0.66) NPC1KDM4EMAPK1HSD17B10MEN1

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
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed