SCHEMBL8969172

SCHEMBL8969172

N=c1c2cccc(Cl)c2nc2n1CCCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.54
POLB P06746 1/20 0.49
TP53 P04637 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
THRB P10828 2/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.38
CFTR P13569 1/20 0.38
ALOX15 P16050 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GOPC Q9HD26 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
SCHEMBL8968353 0.99 ACHE (0.56) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8968919 0.83 ACHE (0.48) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8968416 0.83 ACHE (0.48) ACHEMEN1KMT2AHDAC6LMNA
SCHEMBL8969210 0.83 ACHE (0.58) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8968464 0.82 ACHE (0.50) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8970389 0.82 ACHE (0.50) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8968510 0.82 ACHE (0.60) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8968439 0.82 KMT2A (0.62) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8969481 0.82 ACHE (0.50) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8969044 0.80 ACHE (0.58) ACHEPOLBTP53MEN1KMT2A

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