SCHEMBL11266066

SCHEMBL11266066

O=C(OCc1ccc(Cl)nc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A3 Q01959 1/20 0.60
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 4/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL4130439 0.85 LMNA (0.60) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL21841433 0.85 RAB9A (0.50) KMT2ATDP1LMNAL3MBTL1RAB9A
SCHEMBL2937091 0.82 TDP1 (0.60) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2933476 0.81 KMT2A (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL23309651 0.80 RAB9A (0.46) KMT2ATDP1LMNAL3MBTL1RAB9A
SCHEMBL5085718 0.80 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2357688 0.79 KMT2A (0.76) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL13140970 0.78 KMT2A (0.55) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2134732 0.78 ALDH1A1 (0.57) KMT2AL3MBTL1RAB9AMAPTALDH1A1
SCHEMBL10691581 0.78 ALDH1A1 (0.51) KMT2ATDP1L3MBTL1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4348396-A Substituted 11-oxo-11H-pyrido[2,1-b]quinazolines and method of inhibiting allergic reactions with them HOFFMANN-LA ROCHE INC. (US) 1982-09-07 US disclosed