SCHEMBL8968996

SCHEMBL8968996

Cc1cc(Cl)cc2nc3n(c(=N)c12)CCCCC3

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.61
LMNA P02545 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 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
TP53 P04637 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
STAT1 P42224 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8968470 0.86 ACHE (0.64) ACHELMNANPC1RAB9ASMN1; SMN2
SCHEMBL8968724 0.86 ACHE (0.50) ACHELMNANPC1RAB9ASMN1; SMN2
SCHEMBL8969554 0.85 ACHE (0.61) ACHELMNANPC1RAB9ASMN1; SMN2
SCHEMBL8968731 0.81 ACHE (0.56) ACHELMNANPC1RAB9AALDH1A1
SCHEMBL8968279 0.78 ACHE (0.50) ACHELMNANPC1RAB9ASMN1; SMN2
SCHEMBL8968622 0.77 ACHE (0.51) ACHELMNANPC1RAB9ASMN1; SMN2
SCHEMBL8970467 0.77 ACHE (0.48) ACHELMNANPC1RAB9ASMN1; SMN2
SCHEMBL8968366 0.76 ACHE (1.00) ACHELMNANPC1RAB9ASMN1; SMN2
SCHEMBL8969076 0.75 ACHE (0.63) ACHELMNANPC1RAB9ASMN1; SMN2
SCHEMBL8968733 0.74 ACHE (0.97) ACHELMNANPC1RAB9ASMN1; 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