SCHEMBL8969117

SCHEMBL8969117

Cc1ccc2c(=N)n3c(nc2c1)CCCCC3

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
TP53 P04637 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HPGD P15428 1/20 0.44
LMNA P02545 3/20 0.44
CYP2C19 P33261 1/20 0.44
BCHE P06276 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
THRB P10828 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL8968638 0.99 ACHE (0.69) ACHESMN1; SMN2ALDH1A1TP53RXFP1
SCHEMBL8968338 0.89 SMN1; SMN2 (0.71) ACHESMN1; SMN2ALDH1A1TP53RAB9A
SCHEMBL8968576 0.87 SMN1; SMN2 (0.69) ACHESMN1; SMN2ALDH1A1TP53RAB9A
SCHEMBL8968366 0.83 ACHE (1.00) ACHESMN1; SMN2ALDH1A1TP53RAB9A
SCHEMBL8969578 0.83 ACHE (0.71) ACHESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL8969432 0.83 ACHE (0.71) ACHESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL8968942 0.83 ALDH1A1 (0.80) ACHESMN1; SMN2ALDH1A1TP53RXFP1
SCHEMBL8968695 0.83 SMN1; SMN2 (0.60) ACHESMN1; SMN2ALDH1A1TP53RXFP1
SCHEMBL8969076 0.83 ACHE (0.63) ACHESMN1; SMN2ALDH1A1TP53RAB9A
SCHEMBL8968733 0.82 ACHE (0.97) ACHESMN1; SMN2ALDH1A1TP53RAB9A

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