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SCHEMBL19917591

SCHEMBL19917591

N#Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C#N)cc(-n5c6ccccc6c6ccc(-c7cc(C#N)ccc7-c7ccc(-c8ccc9c(c8)c8cc(-c%10ccccc%10C#N)ccc8n9-c8cc(-c9ccccc9C#N)cc(-n9c%10ccc(-c%11ccccc%11C#N)cc%10c%10cc(-c%11ccccc%11C#N)ccc%109)c8C#N)c(C#N)c7)cc65)c4C#N)c3c2)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ CHEK1 O14757 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NR3C1 P04150 1/20 0.30
▸ TRPA1 O75762 1/20 0.30

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
SCHEMBL22760702 0.98 GRIN1 (0.33) GRIN1GRIN2BPDK2CHEK1SMN1; SMN2
SCHEMBL19917586 0.90 GRIN1 (0.36) GRIN1GRIN2BPDK2CHEK1SMN1; SMN2
SCHEMBL22761131 0.89 GRIN1 (0.34) GRIN1GRIN2BPDK2CHEK1SMN1; SMN2
SCHEMBL21547012 0.89 GRIN1 (0.37) GRIN1GRIN2BPDK2CHEK1SMN1; SMN2
SCHEMBL21546867 0.89 ADRA2C (0.36) GRIN1GRIN2BPDK2CHEK1SMN1; SMN2
SCHEMBL21546829 0.88 STS (0.36) PDK2CHEK1ADRA2CCYP1A2CYP3A4
SCHEMBL21546770 0.88 STS (0.36) GRIN1GRIN2BPDK2CHEK1SMN1; SMN2
SCHEMBL19917518 0.88 STS (0.37) KDM4EMEN1LMNACYP1A2CYP3A4
SCHEMBL19917514 0.88 STS (0.37) SMN1; SMN2HIF1AKDM4EMEN1LMNA
SCHEMBL22760705 0.88 CHEK1 (0.33) GRIN1GRIN2BPDK2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504200-B1 HETEROCYCLICALLY SUBSTITUTED BIPHENYLS, ESPECIALLY FOR USE IN OPTOELECTRONIC APPARATUSES CYNORA GMBH (DE) 2021-01-20 — — EP disclosed
WO-2018037069-A1 HETEROCYCLICALLY SUBSTITUTED BIPHENYLS, ESPECIALLY FOR USE IN OPTOELECTRONIC APPARATUSES CYNORA GMBH (DE) 2018-03-01 — — WO disclosed