SCHEMBL8969554

SCHEMBL8969554

N=c1c2c(Cl)cc(Cl)cc2nc2n1CCCC2

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.61
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.36
HSD11B2 P80365 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
SCHEMBL8968470 0.99 ACHE (0.64) ACHERAB9APOLBNPC1LMNA
SCHEMBL8968731 0.96 ACHE (0.56) ACHERAB9APOLBNPC1LMNA
SCHEMBL8968996 0.85 ACHE (0.61) ACHERAB9APOLBNPC1LMNA
SCHEMBL8968557 0.83 POLB (0.56) ACHERAB9APOLBNPC1LMNA
SCHEMBL8968447 0.82 POLB (0.58) ACHERAB9APOLBNPC1LMNA
SCHEMBL8968425 0.82 MEN1 (0.55) ACHERAB9APOLBNPC1LMNA
SCHEMBL8969257 0.78 POLB (0.50) ACHERAB9APOLBNPC1LMNA
SCHEMBL8969895 0.78 ALDH1A1 (0.52) ACHERAB9APOLBNPC1MEN1
SCHEMBL8968733 0.77 ACHE (0.97) ACHERAB9APOLBNPC1LMNA
SCHEMBL8969044 0.77 ACHE (0.58) ACHERAB9APOLBNPC1LMNA

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