SCHEMBL8969679

SCHEMBL8969679

N=c1c2cc(Cl)ccc2nc2n1CCCC2

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.78
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
APP P05067 1/20 0.43
BCHE P06276 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL8968881 0.99 ACHE (0.80) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8968733 0.89 ACHE (0.97) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8968366 0.87 ACHE (1.00) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969079 0.84 ACHE (0.89) ACHEALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL8968576 0.83 SMN1; SMN2 (0.69) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8968524 0.83 ACHE (0.58) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969447 0.82 ACHE (0.68) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8968275 0.82 ALDH1A1 (0.71) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969470 0.82 ACHE (0.60) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8968581 0.82 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 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