SCHEMBL22563684

SCHEMBL22563684

Cc1ccc2c3ccccc3n(-c3cc(-c4nc(C)cc(C)n4)cc(-n4c5ccccc5c5ccc(C)cc54)c3C#N)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.35
PDE1C Q14123 1/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 5/20 0.34
HPGD P15428 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCG2 Q9UNQ0 4/20 0.34
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
ELANE P08246 1/20 0.34
CTRB1 P17538 1/20 0.34
HTT P42858 3/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL22563686 0.94 NPSR1 (0.34) LMNAHIF1ATHRBKDM4EHPGD
SCHEMBL23487778 0.92 PDE9A (0.38) PDE9APDE1CLMNATP53HIF1A
SCHEMBL22563497 0.91 KDM4E (0.34) LMNAL3MBTL1KDM4EHPGDALDH1A1
SCHEMBL23487618 0.91 KDM4E (0.34) LMNAL3MBTL1KDM4EHPGDALDH1A1
SCHEMBL19942707 0.91 PDE9A (0.35) PDE9APDE1CLMNATP53HIF1A
SCHEMBL19909132 0.91 PDE9A (0.37) PDE9APDE1CLMNATP53HIF1A
SCHEMBL22563589 0.90 KDM4A (0.39) HIF1AKDM4EHPGDALDH1A1HSD17B10
SCHEMBL23487314 0.90 PDE9A (0.33) PDE9APDE1CLMNATP53HIF1A
SCHEMBL23487668 0.90 ABCG2 (0.41) LMNAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL23487672 0.89 KDM5B (0.37) PDE9APDE1CLMNATP53HIF1A

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-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed