SCHEMBL38090

SCHEMBL38090

[c]1nc2c(-c3ccccc3SCc3ccccc3)cccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
SAE1 Q9UBE0 2/20 0.35
UBA2 Q9UBT2 2/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPRC P08575 1/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
S100A4 P26447 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
ALOX15 P16050 1/20 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
SCHEMBL10411212 0.78
SCHEMBL7034667 0.74 POLB (0.41) POLBKMT2AMAPTSAE1UBA2
SCHEMBL4337978 0.72 LIMK1 (0.39) HSD17B10ALDH1A1HPGDMAPK1
SCHEMBL7754182 0.70 KDM4E (0.37) KMT2AMAPTMEN1L3MBTL1HSD17B10
SCHEMBL31726141 0.69 POLB (0.47) POLBKMT2AMAPTMEN1L3MBTL1
SCHEMBL28101141 0.68 POLB (0.50) POLBKMT2AMAPTMEN1HSD17B10
SCHEMBL6777717 0.68 POLB (0.59) POLBKMT2AMAPTSAE1UBA2
SCHEMBL2679046 0.68 KDM4E (0.40) MAPTHSD17B10ALDH1A1
SCHEMBL16341369 0.67 KDM1A (0.31) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3292889 0.67

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3271015-A1 NK-3 RECEPTOR ANTAGONISTS FOR THERAPEUTIC OR COSMETIC TREATMENT OF EXCESS BODY FAT OGEDA S.A. (BE) 2018-01-24 EP disclosed
WO-2016146712-A1 NK-3 RECEPTOR ANTAGONISTS FOR THERAPEUTIC OR COSMETIC TREATMENT OF EXCESS BODY FAT EUROSCREEN SA (BE) 2016-09-22 WO disclosed
EP-2552920-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS Euroscreen S.A. (BE) 2013-02-06 EP disclosed
WO-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
WO-2011121137-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2011-10-06 WO disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US disclosed