SCHEMBL8969167

SCHEMBL8969167

N=c1c2c(Br)ccc(Br)c2nc2n1CCCCC2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
ACHE P22303 1/20 0.48
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.41
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
POLB P06746 1/20 0.40
ALPG P10696 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
THRB P10828 2/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL8969932 0.98 NPC1 (0.47) NPC1RAB9ALMNAACHEALDH1A1
SCHEMBL8969799 0.82 ACHE (0.53) NPC1RAB9ALMNAACHEALDH1A1
SCHEMBL8969481 0.82 ACHE (0.50) NPC1RAB9ALMNAACHEALDH1A1
SCHEMBL8969029 0.82 ACHE (0.50) NPC1RAB9ALMNAACHEALDH1A1
SCHEMBL8969724 0.81 ACHE (0.51) NPC1RAB9ALMNAACHEALDH1A1
SCHEMBL8968919 0.81 ACHE (0.48) NPC1RAB9ALMNAACHEALDH1A1
SCHEMBL8968236 0.81 ACHE (0.51) NPC1RAB9ALMNAACHEALDH1A1
SCHEMBL8969605 0.81 ACHE (0.48) NPC1RAB9ALMNAACHEALDH1A1
SCHEMBL8969618 0.80 LMNA (0.51) NPC1RAB9ALMNAACHEALDH1A1
SCHEMBL8969192 0.79 ACHE (0.52) 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