SCHEMBL8970444

SCHEMBL8970444

CC(C)=C1c2ccc(Cl)cc2N=C2CCCCCN21

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.70
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
PSMD14 O00487 1/20 0.36
ALPG P10696 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL8969833 0.82 ACHE (1.00) ACHEALDH1A1KDM4ELMNAHTT
SCHEMBL8968453 0.70 ACHE (1.00) ACHEALDH1A1LMNAMEN1KMT2A
SCHEMBL8968773 0.69 ACHE (0.97) ACHEALDH1A1LMNAMEN1KMT2A
SCHEMBL8968422 0.68 ACHE (1.00) ACHEALDH1A1LMNAMEN1KMT2A
SCHEMBL8969272 0.68 ACHE (0.54) ACHEALDH1A1KDM4EHTTHPGD
SCHEMBL9382150 0.68 ACHE (0.51) ACHESMN1; SMN2
SCHEMBL8969901 0.67 ACHE (0.69) ACHEALDH1A1KDM4EHTTHPGD
SCHEMBL8969321 0.66 ACHE (0.97) ACHEALDH1A1LMNAMEN1KMT2A
SCHEMBL9382116 0.66 ACHE (0.52) ACHEALDH1A1KDM4EHTTHPGD
SCHEMBL24330116 0.65 ACHE (0.67) ACHEALDH1A1KDM4ELMNAHTT

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 3 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
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed