SCHEMBL9253184

SCHEMBL9253184

CCCc1cccc[n+]1CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HTT P42858 5/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
USP2 O75604 2/20 0.36
MAPK1 P28482 2/20 0.36
RAD52 P43351 2/20 0.36
RGS12 O14924 1/20 0.36
HSP90AA1 P07900 1/20 0.36
THRB P10828 1/20 0.36
MCL1 Q07820 1/20 0.36
KCNH2 Q12809 2/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 2/20 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
Fluoride Ion SCHEMBL30330527 0.98 RAB9A (0.37) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL28336494 0.88 KCNH2 (0.44) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL18538783 0.88 SMN1; SMN2 (0.36) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL12558270 0.88 NPC1 (0.45) RAB9ANPC1SMN1; SMN2POLBKDM4E
Acetic Acid SCHEMBL30330590 0.88 MAPT (0.36) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL29252864 0.88 KCNH2 (0.35) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL29252865 0.88 KDM4E (0.33) RAB9ANPC1SMN1; SMN2POLBKDM4E
Hydrochloric Acid SCHEMBL30212992 0.86 KCNH2 (0.43) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL12558267 0.85 KDM4E (0.38) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL4062501 0.85 RAB9A (0.39) RAB9ANPC1SMN1; SMN2POLBKDM4E

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
CN-1840600-A Adhesive composition, adhesive sheets and surface protective film NITTO DENKO CORP (JP) 2006-10-04 CN disclosed
EP-0650361-A1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-05-03 EP disclosed