SCHEMBL12445890

SCHEMBL12445890

O=C1C(=O)c2cc(C#Cc3ccccc3)ccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.61
PTPRC P08575 9/20 0.50
S100A4 P26447 4/20 0.50
MEN1 O00255 3/20 0.50
APAF1 O14727 3/20 0.50
NPC1 O15118 3/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.50
RAB9A P51151 3/20 0.50
GALK1 P51570 3/20 0.50
BLM P54132 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
TDP2 O95551 2/20 0.50
PLA2G1B P04054 2/20 0.50
POLB P06746 2/20 0.50
PLCG1 P19174 2/20 0.50
PPARG P37231 2/20 0.50
ATG4B Q9Y4P1 2/20 0.50

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
SCHEMBL8909968 0.92 GRM5 (0.65) GRM5MAPTAPPCA12CA1
SCHEMBL72823 0.77 GRM5 (0.66) GRM5MAPTALDH1A1APP
Diphenylacetylene SCHEMBL27557446 0.76 APP (0.80) GRM5MEN1NPC1RAB9ABLM
SCHEMBL10190649 0.76 GRM5 (0.60) GRM5APP
SCHEMBL29637691 0.76 GRM5 (1.00) GRM5MEN1LMNABLMKMT2A
SCHEMBL504295 0.76 GRM5 (1.00) GRM5MEN1LMNABLMKMT2A
SCHEMBL14077443 0.76 GRM5 (0.64) GRM5MAPTAPP
SCHEMBL8987700 0.74 USP8 (0.63) PTPRCS100A4MEN1APAF1NPC1
SCHEMBL3719826 0.74 MEN1 (0.52) PTPRCS100A4MEN1APAF1NPC1
SCHEMBL7526751 0.74 GRM5 (0.56) GRM5MAPTKCNH2APPCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385637-B1 IMPROVED RAMAN-ACTIVE TAGGANTS AND THEIR RECOGNITION QUANTAG SYSTEMS INC (US) 2011-08-24 EP disclosed