SCHEMBL8969932

SCHEMBL8969932

N=c1c2c(Br)ccc(Br)c2nc2n1CCCC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
ACHE P22303 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
THRB P10828 3/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
ALPG P10696 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL8969167 0.98 NPC1 (0.49) NPC1RAB9ALMNAACHESMN1; SMN2
SCHEMBL8969605 0.82 ACHE (0.48) NPC1RAB9ALMNAACHESMN1; SMN2
SCHEMBL8968919 0.82 ACHE (0.48) NPC1RAB9ALMNAACHESMN1; SMN2
SCHEMBL8968236 0.82 ACHE (0.51) NPC1RAB9ALMNAACHESMN1; SMN2
SCHEMBL8969481 0.81 ACHE (0.50) NPC1RAB9ALMNAACHESMN1; SMN2
SCHEMBL8969799 0.81 ACHE (0.53) NPC1RAB9ALMNAACHESMN1; SMN2
SCHEMBL8969029 0.81 ACHE (0.50) NPC1RAB9ALMNAACHESMN1; SMN2
SCHEMBL8968976 0.80 ACHE (0.49) NPC1RAB9ALMNAACHESMN1; SMN2
SCHEMBL8969724 0.79 ACHE (0.51) NPC1RAB9ALMNAACHESMN1; SMN2
SCHEMBL8968512 0.78 ACHE (0.50) NPC1RAB9ALMNAACHESMN1; SMN2

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
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed