SCHEMBL8968528

SCHEMBL8968528

Cc1cccc2c1N=C1CCCN1C2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.61
BCHE P06276 1/20 0.58
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
KMT2A Q03164 1/20 0.56
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX12 P18054 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
HRH4 Q9H3N8 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8968530 0.95 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969359 0.94 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969851 0.81 ACHE (0.89) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968461 0.77 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968761 0.77 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968742 0.77 ACHE (0.56) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968909 0.77 ACHE (0.97) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969699 0.77 ACHE (0.63) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968561 0.77 ACHE (0.63) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969058 0.76 ACHE (0.58) ACHEBCHEALDH1A1MEN1USP2

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