SCHEMBL9722771

SCHEMBL9722771

Nc1snc2cccc(Br)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.40
PDPK1 O15530 1/20 0.39
AXL P30530 1/20 0.35
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
NR4A1 P22736 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN11 Q06124 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TYMS P04818 1/20 0.31

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
SCHEMBL9722756 0.76 GRIN1 (0.39) MAPTHSD17B10KDM4EHIF1AMEN1
SCHEMBL11681658 0.72 DCPS (0.51) MAPTKDM4EALDH1A1POLBTHRB
SCHEMBL31722153 0.68 HSD17B10 (0.48) BACE1PDPK1MAPTHSD17B10KDM4E
SCHEMBL25188350 0.66 PDPK1 (0.48) BACE1PDPK1AXLMAPTALDH1A1
SCHEMBL4025561 0.66 KDM4E (0.45) BACE1PDPK1MAPTHSD17B10KDM4E
SCHEMBL18312022 0.64 PI4KA (0.48) BACE1PDPK1AXL
SCHEMBL29224081 0.64 DCPS (0.56)
SCHEMBL21596942 0.64 BACE1 (0.40) BACE1PDPK1AXLTYMSCLK1
SCHEMBL21497071 0.62 HTT (0.46) BACE1PDPK1MAPTHSD17B10KDM4E
SCHEMBL13975700 0.62 DHFR (0.42) BACE1PDPK1

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
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP disclosed