SCHEMBL8968236

SCHEMBL8968236

N=c1c2ccc(Br)c(Br)c2nc2n1CCCC2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.35
GAA P10253 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
SCHEMBL8969799 0.99 ACHE (0.53) ACHENPC1RAB9AALDH1A1MAPT
SCHEMBL8968919 0.83 ACHE (0.48) ACHENPC1RAB9AALDH1A1MAPT
SCHEMBL8969932 0.82 NPC1 (0.47) ACHENPC1RAB9AALDH1A1MAPT
SCHEMBL8969481 0.82 ACHE (0.50) ACHENPC1RAB9AALDH1A1MAPT
SCHEMBL8969167 0.81 NPC1 (0.49) ACHENPC1RAB9AALDH1A1MAPT
SCHEMBL8968976 0.78 ACHE (0.49) ACHENPC1RAB9AALDH1A1MAPT
SCHEMBL8969210 0.77 ACHE (0.58) ACHENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8968609 0.77 ACHE (0.54) ACHENPC1RAB9AALDH1A1MAPT
SCHEMBL8969724 0.77 ACHE (0.51) ACHENPC1RAB9AALDH1A1MAPT
SCHEMBL8968655 0.77 ACHE (0.51) ACHENPC1RAB9AALDH1A1MAPT

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