SCHEMBL8969618

SCHEMBL8969618

Cc1ccc(C)c2c(=N)n3c(nc12)CCCCC3

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
ACHE P22303 1/20 0.47
THRB P10828 2/20 0.42
MAPT P10636 2/20 0.41
ALPG P10696 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 2/20 0.40
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39

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 0.81 ACHE (0.50) LMNANPC1RAB9ASMN1; SMN2ACHE
SCHEMBL8968464 0.81 ACHE (0.50) LMNANPC1RAB9ASMN1; SMN2ACHE
SCHEMBL8969167 0.80 NPC1 (0.49) LMNANPC1RAB9ASMN1; SMN2ACHE
SCHEMBL8968416 0.79 ACHE (0.48) LMNANPC1RAB9ASMN1; SMN2ACHE
SCHEMBL8968609 0.79 ACHE (0.54) LMNANPC1RAB9ASMN1; SMN2ACHE
SCHEMBL8970467 0.79 ACHE (0.48) LMNANPC1RAB9ASMN1; SMN2ACHE
SCHEMBL8968622 0.79 ACHE (0.51) LMNANPC1RAB9ASMN1; SMN2ACHE
SCHEMBL8969932 0.78 NPC1 (0.47) LMNANPC1RAB9ASMN1; SMN2ACHE
SCHEMBL8969192 0.78 ACHE (0.52) LMNANPC1RAB9ASMN1; SMN2ACHE
SCHEMBL8968512 0.76 ACHE (0.50) LMNANPC1RAB9ASMN1; SMN2ACHE

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