SCHEMBL2490233

SCHEMBL2490233

COc1ccccc1N(C)n1nnc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 2/20 0.47
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.47
AMY1A P0DUB6 1/20 0.47
MIF P14174 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTK2 Q05397 3/20 0.41
SLC9A1 P19634 2/20 0.41
KEAP1 Q14145 1/20 0.41
HDAC3 O15379 1/20 0.40

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
SCHEMBL2491781 0.77 SLC9A1 (0.45) KDM4ETSHRLMNANPSR1SLC9A1
SCHEMBL2490333 0.74 GRM2 (0.41) GAAMGAMAMY1ASIMGAM2
SCHEMBL28863784 0.73 SLC9A1 (0.55) GAAMGAMAMY1ASIMGAM2
SCHEMBL31130802 0.73 SLC9A1 (0.55) GAAMGAMAMY1ASIMGAM2
SCHEMBL3675874 0.73 SLC9A1 (0.50) F12GAAMGAMAMY1AMIF
SCHEMBL7269562 0.72 MGAM (0.40) GAAMGAMAMY1ASIMGAM2
SCHEMBL10404845 0.72 KMT2A (0.39) F12GAAMGAMAMY1AMIF
SCHEMBL2095767 0.69 KDM4E (0.59) F12GAAMGAMAMY1AMIF
SCHEMBL6005157 0.67 SLC9A1 (0.47) NPC1RAB9AKDM4ETSHRHSD17B10
SCHEMBL6006907 0.67 SLC9A1 (0.47) GAAMGAMAMY1ASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed