SCHEMBL4650232

SCHEMBL4650232

[B]c1c(F)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPRT1 P00492 2/20 0.48
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CYP1A2 P05177 5/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
PAX8 Q06710 1/20 0.38
HPGD P15428 2/20 0.37
THRB P10828 1/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CES1 P23141 1/20 0.36
CYP3A4 P08684 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
SCHEMBL51416 0.76 CYP2A6 (0.60) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL29870578 0.76 CYP2A6 (0.60) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL29930545 0.75 ALDH1A1 (0.55) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL3836747 0.75 ALDH1A1 (0.55) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL30366237 0.75 ALDH1A1 (0.55) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL3254994 0.71 POLB (0.56) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL5950474 0.71 ALDH1A1 (0.50) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL5694926 0.71 ALDH1A1 (0.50) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL590476 0.71 PTPN22 (0.60) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL5950477 0.71 TSHR (0.60) CYP2A6ALDH1A1HSD17B10TSHRTDP1

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
EP-1969019-A1 SURFACE-MODIFIED POLYMERIZATION CATALYSTS FOR THE PREPARATION OF LOW-GEL POLYOLEFIN FILMS Borealis Technology OY (FI) 2008-09-17 EP disclosed
WO-2008043388-A1 SURFACE-MODIFIED POLYMERIZATION CATALYSTS FOR THE PREPARATION OF LOW-GEL POLYOLEFIN FILMS BOREALIS TECHNOLOGY OY (FI) 2008-04-17 WO disclosed