SCHEMBL8969799

SCHEMBL8969799

N=c1c2ccc(Br)c(Br)c2nc2n1CCCCC2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HPGD P15428 1/20 0.38
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL8968236 0.99 ACHE (0.51) ACHEALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8969481 0.83 ACHE (0.50) ACHEALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8969167 0.82 NPC1 (0.49) ACHEALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8968919 0.82 ACHE (0.48) ACHEALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8969932 0.81 NPC1 (0.47) ACHEALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8968609 0.79 ACHE (0.54) ACHEALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8969724 0.79 ACHE (0.51) ACHEALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8968510 0.78 ACHE (0.60) ACHEMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8969634 0.78 ACHE (0.53) ACHEALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8968976 0.77 ACHE (0.49) ACHEALDH1A1MAPTSMN1; SMN2NPC1

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