SCHEMBL8968614

SCHEMBL8968614

N=c1c2c(Cl)c(Cl)ccc2nc2n1CCCCC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL8970644 0.99 ACHE (0.54) ACHERAB9APOLBNPC1LMNA
SCHEMBL8968447 0.83 POLB (0.58) ACHERAB9APOLBNPC1LMNA
SCHEMBL8968557 0.82 POLB (0.56) ACHERAB9APOLBNPC1LMNA
SCHEMBL8969192 0.80 ACHE (0.52) ACHERAB9APOLBNPC1LMNA
SCHEMBL8968622 0.79 ACHE (0.51) ACHERAB9APOLBNPC1LMNA
SCHEMBL8969724 0.79 ACHE (0.51) ACHERAB9APOLBNPC1LMNA
SCHEMBL8968512 0.78 ACHE (0.50) ACHERAB9APOLBNPC1LMNA
SCHEMBL8968470 0.78 ACHE (0.64) ACHERAB9APOLBNPC1LMNA
SCHEMBL8968510 0.78 ACHE (0.60) ACHERAB9APOLBNPC1LMNA
SCHEMBL8969257 0.77 POLB (0.50) 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