SCHEMBL8968768

SCHEMBL8968768

N=c1c2c(Br)cc(Br)cc2nc2n1CCCCC2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 3/20 0.38
ALPG P10696 1/20 0.37
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL8969021 0.99 ACHE (0.48) ACHENPC1RAB9ALMNAMEN1
SCHEMBL8969029 0.81 ACHE (0.50) ACHENPC1RAB9ALMNAMEN1
SCHEMBL8969605 0.79 ACHE (0.48) ACHENPC1RAB9ALMNAMEN1
SCHEMBL8969724 0.79 ACHE (0.51) ACHENPC1RAB9ALMNAMEN1
SCHEMBL8969634 0.78 ACHE (0.53) ACHENPC1RAB9ALMNAMEN1
SCHEMBL8969432 0.78 ACHE (0.71) ACHENPC1RAB9ALMNAMEN1
SCHEMBL8968976 0.77 ACHE (0.49) ACHENPC1RAB9ALMNAMEN1
SCHEMBL8969409 0.77 ACHE (0.63) ACHENPC1RAB9ALMNAMEN1
SCHEMBL8969167 0.77 NPC1 (0.49) ACHENPC1RAB9ALMNAMEN1
SCHEMBL8969364 0.76 ACHE (0.69) ACHENPC1RAB9ALMNAMEN1

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