SCHEMBL9914823

SCHEMBL9914823

O=Cc1cccc(-c2ccc3cc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CDK8 P49336 1/20 0.40
BRD4 O60885 1/20 0.40
ERN1 O75460 2/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
AXL P30530 1/20 0.37
GSTP1 P09211 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CYP17A1 P05093 1/20 0.36

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
SCHEMBL9914814 1.00 TRIM24 (0.43) TRIM24TRIM33CA1CA2CA9
SCHEMBL9914780 0.94 RAB9A (0.44) TRIM24TRIM33CA1CA2CA9
SCHEMBL9914781 0.93 TRIM24 (0.48) TRIM24TRIM33CA1CA2CA9
SCHEMBL9914797 0.91 ERN1 (0.41) CA1CA2CA9HSD17B1HSD17B2
SCHEMBL27949350 0.88 RAB9A (0.42) CA1CA2CA9HSD17B1HSD17B2
SCHEMBL10227496 0.86 TRIM24 (0.54) TRIM24TRIM33CA1CA2CA9
SCHEMBL9914809 0.86 HDAC4 (0.42) TRIM24TRIM33CA1CA2CA9
SCHEMBL9914786 0.83 TRIM24 (0.38) TRIM24TRIM33CA1CA2CA9
SCHEMBL9914794 0.83 NPC1 (0.37) TRIM24TRIM33CA1CA2CA9
SCHEMBL9914787 0.83 BRD4 (0.51) TRIM24TRIM33CA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8197951-B2 Emitting material and organic light emitting diode using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed
US-8197951-B2 Emitting material and organic light emitting diode using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed