SCHEMBL8968671

SCHEMBL8968671

N=c1c2cc(C(F)(F)F)ccc2nc2n1CCCCC2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ACHE P22303 1/20 0.56
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
HSD11B1 P28845 1/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL8969922 0.90 ACHE (0.67) MEN1KMT2AACHEALDH1A1SMN1; SMN2
SCHEMBL8969470 0.83 ACHE (0.60) MEN1KMT2AACHEALDH1A1SMN1; SMN2
SCHEMBL8968338 0.80 SMN1; SMN2 (0.71) MEN1KMT2AACHEALDH1A1SMN1; SMN2
SCHEMBL8968881 0.80 ACHE (0.80) MEN1KMT2AACHEALDH1A1SMN1; SMN2
SCHEMBL8968581 0.80 ACHE (0.60) MEN1KMT2AACHEALDH1A1SMN1; SMN2
SCHEMBL8968524 0.79 ACHE (0.58) MEN1KMT2AACHEALDH1A1SMN1; SMN2
SCHEMBL8969679 0.79 ACHE (0.78) MEN1KMT2AACHEALDH1A1SMN1; SMN2
SCHEMBL8968576 0.79 SMN1; SMN2 (0.69) MEN1KMT2AACHEALDH1A1SMN1; SMN2
SCHEMBL9387899 0.76 MEN1 (0.68) MEN1KMT2AACHEALDH1A1SMN1; SMN2
SCHEMBL9541773 0.75 MEN1 (0.66) MEN1KMT2AACHEALDH1A1SMN1; SMN2

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