SCHEMBL8968573

SCHEMBL8968573

O=c1c2c(Cl)cccc2nc2n1CCCCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
HDAC6 Q9UBN7 1/20 0.62
ALDH1A1 P00352 7/20 0.54
ALOX15 P16050 3/20 0.54
HSD17B10 Q99714 3/20 0.54
USP2 O75604 2/20 0.54
CYP1A2 P05177 2/20 0.54
KDM4E B2RXH2 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
GOPC Q9HD26 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL5507502 0.94 ALDH1A1 (0.60) POLBMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968447 0.83 POLB (0.58) POLBMEN1KMT2AHDAC6ALDH1A1
SCHEMBL31243241 0.83 ALDH1A1 (0.62) POLBMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968425 0.83 MEN1 (0.55) POLBMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968557 0.82 POLB (0.56) POLBMEN1KMT2AHDAC6ALDH1A1
SCHEMBL18037019 0.78 MEN1 (0.59) POLBMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968439 0.78 KMT2A (0.62) POLBMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8969895 0.77 ALDH1A1 (0.52) POLBMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8969257 0.77 POLB (0.50) POLBMEN1KMT2AHDAC6ALDH1A1
SCHEMBL6288230 0.77 MEN1 (1.00) MEN1KMT2AHDAC6ALDH1A1ALOX15

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