SCHEMBL8969922

SCHEMBL8969922

N=c1c2ccc(C(F)(F)F)cc2nc2n1CCCCC2

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.67
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD11B1 P28845 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP2C19 P33261 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
SCHEMBL8968671 0.90 MEN1 (0.62) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8969578 0.83 ACHE (0.71) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8969117 0.80 ACHE (0.71) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8969432 0.80 ACHE (0.71) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968366 0.80 ACHE (1.00) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968638 0.79 ACHE (0.69) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8969364 0.79 ACHE (0.69) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968733 0.79 ACHE (0.97) ACHEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9387899 0.76 MEN1 (0.68) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL9541773 0.75 MEN1 (0.66) 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