SCHEMBL5345667

SCHEMBL5345667

CCCCCc1c(-c2ccc3c(Br)[c]ccc3c2)n(C)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD11B1 P28845 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC2A1 P11166 1/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL4023157 0.86 ALDH1A1 (0.40) ALDH1A1TP53MEN1TSHRKMT2A
SCHEMBL4023946 0.81 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10MEN1TSHR
SCHEMBL4953627 0.81 PTPN1 (0.46) ALDH1A1HPGDHSD17B10MEN1TSHR
SCHEMBL4024325 0.75 PSEN1 (0.42) ALDH1A1HPGDHSD17B10TP53RAB9A
SCHEMBL4192744 0.75 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10MEN1TSHR
SCHEMBL4022869 0.75 PTPN1 (0.52) ALDH1A1HPGDHSD17B10TP53
SCHEMBL4192748 0.72 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10TP53MEN1
SCHEMBL4024279 0.71 PSEN1 (0.53) ALDH1A1HPGDHSD17B10MEN1TSHR
SCHEMBL4021086 0.71 PTPN1 (0.37) ALDH1A1HPGDHSD17B10TP53MEN1
SCHEMBL4023360 0.71 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397356-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP claimed
WO-2003000684-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 WO claimed
WO-2007092207-A1 COMPOSITIONS FOR THE DELIVERY OF SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-08-16 WO disclosed
EP-1397356-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
WO-2003000684-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 WO disclosed