SCHEMBL8968524

SCHEMBL8968524

N=c1c2cc(Br)ccc2nc2n1CCCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.58
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
APP P05067 1/20 0.43
BCHE P06276 4/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CFTR P13569 1/20 0.41
ALOX15 P16050 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
GOPC Q9HD26 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8968581 0.99 ACHE (0.60) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969364 0.89 ACHE (0.69) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969432 0.87 ACHE (0.71) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969679 0.83 ACHE (0.78) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8968576 0.83 SMN1; SMN2 (0.69) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969258 0.82 ACHE (0.60) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969470 0.82 ACHE (0.60) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8968881 0.82 ACHE (0.80) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8968338 0.82 SMN1; SMN2 (0.71) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969409 0.81 ACHE (0.63) ACHEALDH1A1SMN1; SMN2MEN1KMT2A

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