SCHEMBL8968622

SCHEMBL8968622

Cc1ccc2nc3n(c(=N)c2c1C)CCCCC3

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
LMNA P02545 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.40
ALPG P10696 1/20 0.40
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8968279 0.84 ACHE (0.50) ACHELMNARAB9ANPC1SMN1; SMN2
SCHEMBL8970467 0.83 ACHE (0.48) ACHELMNARAB9ANPC1SMN1; SMN2
SCHEMBL8969724 0.80 ACHE (0.51) ACHELMNARAB9ANPC1SMN1; SMN2
SCHEMBL8969618 0.79 LMNA (0.51) ACHELMNARAB9ANPC1SMN1; SMN2
SCHEMBL8968614 0.79 ACHE (0.56) ACHELMNARAB9ANPC1SMN1; SMN2
SCHEMBL8968724 0.79 ACHE (0.50) ACHELMNARAB9ANPC1SMN1; SMN2
SCHEMBL8968976 0.78 ACHE (0.49) ACHELMNARAB9ANPC1SMN1; SMN2
SCHEMBL8968609 0.77 ACHE (0.54) ACHELMNARAB9ANPC1SMN1; SMN2
SCHEMBL8970644 0.77 ACHE (0.54) ACHELMNARAB9ANPC1SMN1; SMN2
SCHEMBL8968996 0.77 ACHE (0.61) ACHELMNARAB9ANPC1SMN1; 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