SCHEMBL8968581

SCHEMBL8968581

N=c1c2cc(Br)ccc2nc2n1CCCCC2

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.60
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
BCHE P06276 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
APP P05067 1/20 0.43

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
SCHEMBL8968524 0.99 ACHE (0.58) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969432 0.89 ACHE (0.71) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969364 0.87 ACHE (0.69) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8968338 0.83 SMN1; SMN2 (0.71) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8968881 0.83 ACHE (0.80) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969470 0.83 ACHE (0.60) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969409 0.83 ACHE (0.63) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8968576 0.82 SMN1; SMN2 (0.69) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969679 0.82 ACHE (0.78) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969258 0.81 ACHE (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed