SCHEMBL8968631

SCHEMBL8968631

Clc1cc(Cl)c2c(c1)N=C1COCCN1C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CNR2 P34972 2/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 2/20 0.33
AR P10275 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL8969455 0.87 ACHE (0.43) ACHEMAPTRAB9ASMN1; SMN2CNR2
SCHEMBL8968233 0.78 ACHE (0.57) ACHERAB9ASMN1; SMN2NPC1KMT2A
Hydrochloric Acid SCHEMBL8969536 0.77 ACHE (0.56) ACHEKMT2AMEN1
SCHEMBL8969421 0.77 ACHE (0.63) ACHERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL29869033 0.75 ACHE (0.66) ACHERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL4448665 0.75 ACHE (0.66) ACHERAB9ASMN1; SMN2NPC1KMT2A
Hydrochloric Acid SCHEMBL8968390 0.74 ACHE (0.64) ACHERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL8969433 0.74 ACHE (0.38) ACHE
SCHEMBL8969485 0.73 ACHE (0.43) ACHEKMT2AMEN1
SCHEMBL8968698 0.73 ACHE (0.43) ACHEKMT2AMEN1

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed