SCHEMBL8969578

SCHEMBL8969578

N=c1c2ccc(F)cc2nc2n1CCCCC2

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
LMNA P02545 2/20 0.49
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8969470 0.89 ACHE (0.60) ACHESMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8969117 0.83 ACHE (0.71) ACHESMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8969432 0.83 ACHE (0.71) ACHESMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8968366 0.83 ACHE (1.00) ACHESMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8969922 0.83 ACHE (0.67) ACHESMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8968733 0.82 ACHE (0.97) ACHESMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8969364 0.82 ACHE (0.69) ACHESMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8968638 0.82 ACHE (0.69) ACHESMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5506562 0.82 RAB9A (0.65) ACHESMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8969409 0.80 ACHE (0.63) ACHESMN1; SMN2RAB9ANPC1LMNA

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