SCHEMBL9612980

SCHEMBL9612980

c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
MAPK1 P28482 3/20 0.49
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 2/20 0.49
HTR2C P28335 2/20 0.46
TGFBR1 P36897 1/20 0.46
DCTPP1 Q9H773 1/20 0.42
DHODH Q02127 1/20 0.41
PRKDC P78527 1/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
LMNA P02545 1/20 0.41
ALPL P05186 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL17227627 0.92 KDM4E (0.47) KDM4EMAPK1TP53SMN1; SMN2HSD17B10
SCHEMBL17013886 0.91 ALDH1A1 (0.45) KDM4EMAPK1TP53SMN1; SMN2HSD17B10
SCHEMBL10030063 0.89 KDM4E (0.45) KDM4EMAPK1TP53SMN1; SMN2HSD17B10
SCHEMBL17013884 0.88 DHODH (0.46) KDM4EMAPK1TP53SMN1; SMN2HSD17B10
SCHEMBL9612929 0.88 KDM4E (0.51) KDM4EMAPK1TP53SMN1; SMN2HSD17B10
SCHEMBL276038 0.87 MAPK1 (0.46) KDM4EMAPK1TP53SMN1; SMN2HSD17B10
SCHEMBL17227621 0.86 KDM4E (0.58) KDM4EMAPK1TP53SMN1; SMN2HSD17B10
SCHEMBL13015766 0.86 KDM4E (0.47) KDM4EMAPK1TP53SMN1; SMN2HSD17B10
SCHEMBL21266817 0.85 KDR (0.43) KDM4EMAPK1TP53SMN1; SMN2HSD17B10
SCHEMBL17013907 0.85 KDM4E (0.44) KDM4EMAPK1TP53SMN1; SMN2HSD17B10

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-2012070535-A1 ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME JNC株式会社 (JP) 2012-05-31 WO disclosed