SCHEMBL9612929

SCHEMBL9612929

c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TGFBR1 P36897 1/20 0.48
DCTPP1 Q9H773 1/20 0.47
DHODH Q02127 2/20 0.46
HTR2C P28335 1/20 0.45
LMNA P02545 2/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALPL P05186 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL276038 0.93 MAPK1 (0.46) KDM4ETP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL15158403 0.89 MAPK1 (0.43) KDM4ETP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL17227621 0.89 KDM4E (0.58) KDM4ETP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL10030061 0.88 MAPK1 (0.47) KDM4ETP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL17227627 0.88 KDM4E (0.47) KDM4ETP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL15158412 0.88 KDM4E (0.42) KDM4ETP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL9612980 0.88 KDM4E (0.49) KDM4ETP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL17465783 0.87 KDM4E (0.41) KDM4ETP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL25493547 0.87 KDM4E (0.46) KDM4ETP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL25493550 0.87 KDM4E (0.48) KDM4ETP53SMN1; SMN2ALDH1A1MAPT

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