SCHEMBL8968609

SCHEMBL8968609

Cc1ccc2c(=N)n3c(nc2c1C)CCCCC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 5/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL8968464 0.84 ACHE (0.50) ACHESMN1; SMN2LMNAMAPTNPC1
SCHEMBL8968416 0.83 ACHE (0.48) ACHESMN1; SMN2LMNAMAPTNPC1
SCHEMBL8969618 0.79 LMNA (0.51) ACHESMN1; SMN2LMNAMAPTNPC1
SCHEMBL8968510 0.79 ACHE (0.60) ACHESMN1; SMN2LMNAMAPTNPC1
SCHEMBL8968642 0.79 ACHE (0.50) ACHESMN1; SMN2LMNAMAPTNPC1
SCHEMBL8969799 0.79 ACHE (0.53) ACHESMN1; SMN2LMNAMAPTNPC1
SCHEMBL8969913 0.78 ACHE (0.49) ACHESMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL8968236 0.77 ACHE (0.51) ACHESMN1; SMN2LMNAMAPTNPC1
SCHEMBL8969210 0.77 ACHE (0.58) ACHESMN1; SMN2LMNAMAPTNPC1
SCHEMBL8968622 0.77 ACHE (0.51) ACHESMN1; SMN2LMNAMAPTNPC1

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