SCHEMBL8564904

SCHEMBL8564904

CSc1cc[c]c(-c2ccccc2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK10 O94804 3/20 0.40
SLK Q9H2G2 3/20 0.40
HPGD P15428 4/20 0.38
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
HSP90AA1 P07900 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CYP2A6 P11509 1/20 0.35
PLA2G7 Q13093 1/20 0.34
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL14740129 0.81 KDM4E (0.37) HPGDALDH1A1KMT2AKDM4EMAPT
SCHEMBL7839044 0.79 PLA2G7 (0.40) HPGDCYP1A2CYP2A6PLA2G7HSD11B1
SCHEMBL6682355 0.78 CYP2A6 (0.40) STK10SLKHPGDGSK3BHSP90AA1
SCHEMBL9138237 0.75 HSD11B1 (0.41) STK10SLKHPGDHSP90AA1CYP2A6
SCHEMBL5528999 0.75 NPC1 (0.39) HPGDCYP2A6PLA2G7HSD11B1ALDH1A1
SCHEMBL5670544 0.75 MEN1 (0.40) CYP1A2CYP2A6ALDH1A1KMT2AMEN1
SCHEMBL6191708 0.74 PTGS2 (0.38) HPGDALDH1A1KMT2AKDM4EMEN1
SCHEMBL7465625 0.74 CYP2A6 (0.50) HPGDCYP1A2CYP2A6HSD11B1ALDH1A1
SCHEMBL1009593 0.71
SCHEMBL2113995 0.71 CYP2A6 (0.44) HPGDCYP2A6HSD11B1ALDH1A1KMT2A

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
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed