SCHEMBL8968404

SCHEMBL8968404

N=c1c2cccc(C(F)(F)F)c2nc2n1CCCCC2

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
HSD11B1 P28845 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
STAT3 P40763 1/20 0.37
HTT P42858 1/20 0.37
MAPK10 P53779 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 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 0.83 ACHE (0.50) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8970389 0.83 ACHE (0.50) ACHEHSD11B1MEN1KMT2AHDAC6
SCHEMBL8968416 0.81 ACHE (0.48) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8969481 0.80 ACHE (0.50) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968353 0.80 ACHE (0.56) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968918 0.80 ACHE (0.47) ACHEHSD11B1MEN1KMT2AHDAC6
SCHEMBL8968919 0.79 ACHE (0.48) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8969172 0.79 ACHE (0.54) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968609 0.76 ACHE (0.54) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL9387899 0.74 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