SCHEMBL9527170

SCHEMBL9527170

CC1=C(C(=O)CBr)Cc2c(C)cccc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.36
ACHE P22303 2/20 0.35
PTPN1 P18031 4/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
TYR P14679 1/20 0.34
LMNA P02545 1/20 0.33
HSD11B1 P28845 1/20 0.33
NOTUM Q6P988 1/20 0.33
MYC P01106 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL9526203 0.80 MYC (0.43) ACHEPARP1PARP10PARP11TYR
SCHEMBL9527164 0.80 NOTUM (0.39) ACHEPARP1PARP10PARP11TYR
Hydrochloric Acid SCHEMBL9526664 0.79 MYC (0.42) ACHEPARP1PARP10PARP11TYR
SCHEMBL9526658 0.79 TYR (0.39) ACHEPARP1PARP10PARP11TYR
SCHEMBL12602209 0.77 CA12 (0.44) CA1CA2CA7CA9ALDH1A1
SCHEMBL9526252 0.69 METAP1 (0.45) GSK3BACHEPARP1PARP10HSD11B1
SCHEMBL5725592 0.68 GSK3B (0.48) GSK3BPTPN1LMNAALDH1A1GAA
SCHEMBL7712845 0.68 RXRA (0.43) ACHEPARP1PARP10PARP11NOTUM
SCHEMBL8931109 0.67 SLC9A1 (0.33) TYRLMNAMYCCA1CA2
SCHEMBL2052193 0.67 ACHE (0.47) ACHEPARP1PARP10PARP11TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310745-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE ORION-YHTYMÄ OY (FI) 1993-01-27 EP disclosed
EP-0183492-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1989-11-15 EP disclosed
EP-0310745-A2 Substituted imidazole derivatives and their preparation and use ORION-YHTYMÄ OY (FI) 1989-04-12 EP disclosed