SCHEMBL8539129

SCHEMBL8539129

Fc1cnccc1Nn1ccc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.47
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.41
HDAC1 Q13547 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPK1 P28482 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
SRD5A2 P31213 1/20 0.39
CYP3A4 P08684 1/20 0.39
F2 P00734 2/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2B Q13224 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38

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
SCHEMBL9738305 0.88 ROCK1 (0.47) ROCK1MEN1NPC1RAB9AKMT2A
SCHEMBL8539616 0.82 SLC6A2 (0.56) ROCK1MEN1NPC1RAB9AKMT2A
SCHEMBL9739945 0.81 ROCK1 (0.43) ROCK1MEN1NPC1RAB9AKMT2A
SCHEMBL8539866 0.81 BCHE (0.63) MEN1NPC1RAB9AKMT2ABCHE
SCHEMBL9739947 0.81 ROCK1 (0.43) ROCK1MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL8544421 0.81 ROCK1 (0.43) ROCK1MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL8544423 0.80 ROCK1 (0.42) ROCK1MEN1NPC1RAB9AKMT2A
SCHEMBL7613220 0.77 SLC6A2 (0.59) BCHEACHE
SCHEMBL7621050 0.73 BCHE (0.51) ROCK1MEN1NPC1RAB9AKMT2A
SCHEMBL8946048 0.73 BCHE (0.44) ROCK1MEN1NPC1RAB9AKMT2A

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-0468401-B1 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-09-16 EP disclosed
US-5102891-A Useful for treating various memory dysfunctions such as alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-04-07 US disclosed
EP-0468401-A2 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-29 EP disclosed