SCHEMBL8968366

SCHEMBL8968366

N=c1c2ccc(Cl)cc2nc2n1CCCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 1.00
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
STAT1 P42224 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL8968733 0.99 ACHE (0.97) ACHEPOLBMEN1KMT2ANPC1
SCHEMBL8969079 0.94 ACHE (0.89) ACHEPOLBNPC1USP2ALDH1A1
SCHEMBL8968881 0.89 ACHE (0.80) ACHEPOLBMEN1KMT2AUSP2
SCHEMBL8969679 0.87 ACHE (0.78) ACHEPOLBMEN1KMT2AUSP2
SCHEMBL8969117 0.83 ACHE (0.71) ACHEMEN1KMT2ANPC1ALDH1A1
SCHEMBL8969432 0.83 ACHE (0.71) ACHEMEN1KMT2ANPC1ALDH1A1
SCHEMBL8969578 0.83 ACHE (0.71) ACHEMEN1KMT2ANPC1ALDH1A1
SCHEMBL8968493 0.83 ACHE (0.71) ACHEPOLBMEN1KMT2ANPC1
SCHEMBL8969198 0.83 ACHE (0.71) ACHEPOLBMEN1KMT2ANPC1
SCHEMBL8968607 0.83 ACHE (0.71) ACHEPOLBMEN1KMT2ANPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US claimed
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP claimed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO claimed
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