SCHEMBL20180359

SCHEMBL20180359

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6ccc7c(c6)c(-c6ccccc6)nn7-c6ccccc6)c5)c4)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
PTGER1 P34995 2/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL22214601 0.96 ALDH1A1 (0.40) MAPTNPSR1PTGER1ALDH1A1LMNA
SCHEMBL22214600 0.96 ALDH1A1 (0.40) MAPTNPSR1PTGER1ALDH1A1LMNA
SCHEMBL22214861 0.96 ALDH1A1 (0.40) MAPTNPSR1PTGER1ALDH1A1LMNA
SCHEMBL20180256 0.95 PTGER1 (0.38) MAPTNPSR1GAAPTGER1ALDH1A1
SCHEMBL22214597 0.90 MKNK1 (0.40) MAPTNPSR1PTGER1ALDH1A1LMNA
SCHEMBL22214675 0.89 PRKDC (0.38) MAPTNPSR1ALDH1A1LMNAPDE4A
SCHEMBL22214570 0.88 ALDH1A1 (0.44) MAPTNPSR1PTGER1ALDH1A1LMNA
SCHEMBL20615278 0.88 ALDH1A1 (0.44) MAPTNPSR1PTGER1ALDH1A1LMNA
SCHEMBL22214595 0.87 MEN1 (0.43) MAPTNPSR1ALDH1A1LMNA
SCHEMBL22214598 0.87 MEN1 (0.43) MAPTNPSR1ALDH1A1LMNA

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
WO-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed