SCHEMBL8970389

SCHEMBL8970389

N=c1c2cccc(F)c2nc2n1CCCCC2

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
TP53 P04637 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
MAPK10 P53779 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.39
HSD11B2 P80365 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
SCHEMBL8968464 0.83 ACHE (0.50) ACHETP53MEN1KMT2AHDAC6
SCHEMBL8969481 0.83 ACHE (0.50) ACHETP53MEN1KMT2AHDAC6
SCHEMBL8968353 0.83 ACHE (0.56) ACHETP53MEN1KMT2AHDAC6
SCHEMBL8968404 0.83 ACHE (0.47) ACHETP53MEN1KMT2AHDAC6
SCHEMBL8969172 0.82 ACHE (0.54) ACHETP53MEN1KMT2AHDAC6
SCHEMBL8968919 0.82 ACHE (0.48) ACHETP53MEN1KMT2AHDAC6
SCHEMBL8968416 0.82 ACHE (0.48) ACHEMEN1KMT2AHDAC6NPC1
SCHEMBL8968889 0.78 ACHE (0.50) ACHETP53MEN1KMT2AHDAC6
SCHEMBL5511715 0.77 ALDH1A1 (0.60) ACHETP53MEN1KMT2AHDAC6
SCHEMBL9387899 0.77 MEN1 (0.68) ACHEMEN1KMT2AHDAC6ALDH1A1

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