SCHEMBL3236023

SCHEMBL3236023

Cc1nc2cccc(C#N)c2c(C#N)c1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ KDM4E B2RXH2 6/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MAP2K1 Q02750 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ GAA P10253 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
SCHEMBL149256 0.76 KDM4E (0.40) HTTKDM4EALDH1A1TSHRMAP2K1
SCHEMBL2162329 0.75 HSD17B10 (0.33) HTTHSD17B10ADRA2AADORA2AKDM4E
Methane SCHEMBL29026460 0.75 KDM4E (0.39) HTTKDM4EALDH1A1TSHRMAP2K1
SCHEMBL5249857 0.74 ALDH1A1 (0.66) HTTHSD17B10ADRA2AADORA2AKDM4E
SCHEMBL7633602 0.73 PSMB8 (0.38) HTTADORA2AKDM4EALDH1A1MAP2K1
Quinoline SCHEMBL10705720 0.71 ALDH1A1 (0.41) HTTHSD17B10ADRA2AADORA2AKDM4E
SCHEMBL10577556 0.70 KDM4E (0.35) HTTKDM4EALDH1A1MAP2K1SMN1; SMN2
SCHEMBL916415 0.69 DHFR (0.35) HTTHSD17B10ADRA2AADORA2AKDM4E
Thiophene SCHEMBL28928184 0.69 KDM4E (0.34) HTTKDM4EALDH1A1MAP2K1SMN1; SMN2
SCHEMBL28232972 0.69 TSHR (0.40) KDM4EALDH1A1TSHRMAP2K1NR1H2

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
EP-1651012-B1 WHITE ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO (JP) 2013-04-17 — — EP disclosed
US-7745016-B2 White organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2010-06-29 — — US disclosed
US-20060172147-A1 White organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2006-08-03 — — US disclosed
EP-1651012-A1 WHITE ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2006-04-26 — — EP disclosed
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