SCHEMBL9541773

SCHEMBL9541773

N=c1c2ccccc2nc2n1CCCC2

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
ACHE P22303 2/20 0.63
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
USP2 O75604 1/20 0.60
CYP1A2 P05177 1/20 0.60
BCHE P06276 1/20 0.60
CFTR P13569 1/20 0.60
ALOX15 P16050 1/20 0.60
HKDC1 Q2TB90 1/20 0.60
HSD17B10 Q99714 1/20 0.60
GOPC Q9HD26 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9387899 0.98 MEN1 (0.68) MEN1KMT2AHDAC6ACHEALDH1A1
SCHEMBL3385589 0.95 ACHE (0.67) MEN1KMT2AHDAC6ACHEALDH1A1
SCHEMBL29618881 0.81 MEN1 (0.97) MEN1KMT2AHDAC6ACHEALDH1A1
SCHEMBL5511965 0.81 MEN1 (0.97) MEN1KMT2AHDAC6ACHEALDH1A1
SCHEMBL6288230 0.79 MEN1 (1.00) MEN1KMT2AHDAC6ACHEALDH1A1
SCHEMBL8968733 0.79 ACHE (0.97) MEN1KMT2AACHEALDH1A1USP2
SCHEMBL8968524 0.79 ACHE (0.58) MEN1KMT2AHDAC6ACHEALDH1A1
SCHEMBL8968576 0.79 SMN1; SMN2 (0.69) MEN1KMT2AHDAC6ACHEALDH1A1
SCHEMBL8968638 0.79 ACHE (0.69) MEN1KMT2AHDAC6ACHEALDH1A1
SCHEMBL8969679 0.79 ACHE (0.78) MEN1KMT2AHDAC6ACHEALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO claimed