SCHEMBL17952921

SCHEMBL17952921

c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3ncccc3-c3cccnc3-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ GRM5 P41594 4/20 0.37
▸ FEN1 P39748 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ ATM Q13315 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL21693371 0.89 PTGS1 (0.42) ALDH1A1HTTHSD17B10PTGS1PTGS2
SCHEMBL17952961 0.87 KDM4E (0.40) ALDH1A1HTTHSD17B10PTGS1PTGS2
SCHEMBL17952970 0.87 KDM4E (0.40) ALDH1A1HTTHSD17B10PTGS1PTGS2
SCHEMBL17952930 0.86 KDM4E (0.44) ALDH1A1HTTHSD17B10PTGS1PTGS2
SCHEMBL17952920 0.84 DHODH (0.35) GRM5PDE10AKDM4ETP53KMO
SCHEMBL19238122 0.83 PDE10A (0.34) ALDH1A1HTTHSD17B10GRM5PDE10A
SCHEMBL19238166 0.83 PDE10A (0.34) ALDH1A1HTTHSD17B10GRM5PDE10A
SCHEMBL20633476 0.83 ATM (0.47) ALDH1A1HTTHSD17B10PDE10AHIF1A
SCHEMBL8739888 0.83 ATM (0.47) ALDH1A1HTTHSD17B10PDE10AHIF1A
SCHEMBL19238271 0.83 KDM4E (0.33) ALDH1A1HTTHSD17B10GRM5FEN1

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
EP-3247771-B1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2020-06-10 — — EP disclosed
US-10544361-B2 Pyridines and derivatives thereof as components for use in optoelectronic components CYNORA GMBH (DE) 2020-01-28 — — US disclosed
WO-2016116517-A1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 — — WO disclosed
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