SCHEMBL8968439

SCHEMBL8968439

O=c1c2cccc(Cl)c2nc2n1CCCCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
HDAC6 Q9UBN7 1/20 0.62
POLB P06746 2/20 0.58
ALDH1A1 P00352 6/20 0.54
USP2 O75604 2/20 0.54
ALOX15 P16050 2/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 1/20 0.54
BCHE P06276 1/20 0.54
CFTR P13569 1/20 0.54
ACHE P22303 1/20 0.54
HKDC1 Q2TB90 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GOPC Q9HD26 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 5/20 0.50

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
SCHEMBL8968353 0.83 ACHE (0.56) KMT2AMEN1HDAC6POLBALDH1A1
SCHEMBL8969172 0.82 ACHE (0.54) KMT2AMEN1HDAC6POLBALDH1A1
SCHEMBL8968573 0.78 POLB (0.65) KMT2AMEN1HDAC6POLBALDH1A1
SCHEMBL5511715 0.77 ALDH1A1 (0.60) KMT2AMEN1HDAC6ALDH1A1USP2
SCHEMBL6288230 0.77 MEN1 (1.00) KMT2AMEN1HDAC6ALDH1A1USP2
SCHEMBL6216724 0.75 KMT2A (0.52) KMT2AMEN1HDAC6POLBALDH1A1
SCHEMBL5511965 0.75 MEN1 (0.97) KMT2AMEN1HDAC6POLBALDH1A1
SCHEMBL29618881 0.75 MEN1 (0.97) KMT2AMEN1HDAC6POLBALDH1A1
SCHEMBL6921153 0.73 MEN1 (0.56) KMT2AMEN1HDAC6POLBALDH1A1
SCHEMBL8969198 0.72 ACHE (0.71) KMT2AMEN1HDAC6POLBALDH1A1

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