SCHEMBL8969797

SCHEMBL8969797

N=c1c2cc(Cl)ccc2nc2n1C1CC3CC(CC2C3)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.39
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 1/20 0.34
MPO P05164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8969460 0.90 ACHE (0.42) LRRK2ACHEMPOKDM4E
SCHEMBL8969894 0.85 KDM4E (0.38) ACHEALDH1A1KDM4ELMNA
SCHEMBL8968811 0.81 LRRK2 (0.38) LRRK2
SCHEMBL8969661 0.77 BCHE (0.34) ACHEALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL8968555 0.76 MPO (0.36) ACHEMPO
SCHEMBL8970437 0.76 MPO (0.36) LRRK2ACHEMPO
SCHEMBL8968897 0.76 BCHE (0.31) ACHE
SCHEMBL8968456 0.75 ACHE (0.37) ACHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL8969363 0.74
SCHEMBL8968435 0.74

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