SCHEMBL1477784

SCHEMBL1477784

c1ccc(B(c2ccccc2)c2cccc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 5/20 0.42
CYP2A6 P11509 3/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 5/20 0.39
HPGD P15428 3/20 0.39
CYP3A4 P08684 2/20 0.39
KEAP1 Q14145 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
HPRT1 P00492 1/20 0.39
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
CDC25B P30305 1/20 0.38
ATM Q13315 1/20 0.38
KCNA3 P22001 1/20 0.36
RECQL P46063 1/20 0.36
HIF1A Q16665 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
SCHEMBL1265002 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL30155141 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL17821240 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL7177934 0.78 TRPV6 (0.52) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL14500178 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL22036471 0.77 TRPV6 (0.45) ALDH1A1TSHRTDP1CYP1A2HPGD
Phenylboronic Acid SCHEMBL3985819 0.77 ENPP2 (0.56) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL17790842 0.75 HSD17B10 (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL11228605 0.74 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5952980 0.72 KCNA3 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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-7914909-B2 Organic electroluminescent device CANON KABUSHIKI KAISHA (JP) 2011-03-29 US disclosed
US-20080309228-A1 ORGANIC ELECTROLUMINESCENT DEVICE CANON KABUSHIKI KAISHA (JP) 2008-12-18 US disclosed