SCHEMBL9526658

SCHEMBL9526658

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.39
ACHE P22303 2/20 0.38
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
MYC P01106 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
NOTUM Q6P988 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.31
RXRA P19793 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31

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 0.84 MYC (0.43) TYRACHEPARP1PARP10PARP11
SCHEMBL9527164 0.84 NOTUM (0.39) TYRACHEPARP1PARP10PARP11
Hydrochloric Acid SCHEMBL9526664 0.83 MYC (0.42) TYRACHEPARP1PARP10PARP11
SCHEMBL9527170 0.79 GSK3B (0.36) TYRACHEPARP1PARP10PARP11
SCHEMBL12602209 0.78 CA12 (0.44) CA1CA2CA7CA9ALDH1A1
SCHEMBL8444226 0.75 HSD11B1 (0.52) ALDH1A1HSD11B1
SCHEMBL7712845 0.71 RXRA (0.43) ACHEPARP1PARP10PARP11MYC
SCHEMBL8931109 0.70 SLC9A1 (0.33) TYRMYCCA1CA2CA7
SCHEMBL2052193 0.70 ACHE (0.47) TYRACHEPARP1PARP10PARP11
SCHEMBL8931113 0.70 TYR (0.33) TYRLMNA

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