SCHEMBL15577641

SCHEMBL15577641

COc1cnc(-c2ccc(F)cc2)nc1OC.COc1cnc(Cl)nc1OC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
LMNA P02545 1/20 0.42
MAPT P10636 3/20 0.41
DHPS P49366 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
PIN1 Q13526 1/20 0.40
MTOR P42345 1/20 0.40
POLB P06746 2/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL15577515 0.91 KMT2A (0.71) KMT2AALDH1A1L3MBTL1MEN1NPSR1
SCHEMBL30786798 0.80 ALDH1A1 (0.53) KMT2AALDH1A1L3MBTL1MEN1LMNA
SCHEMBL2437490 0.80 ALDH1A1 (0.53) KMT2AALDH1A1L3MBTL1MEN1LMNA
SCHEMBL15614430 0.76 KMT2A (1.00) KMT2AALDH1A1L3MBTL1MEN1NPSR1
SCHEMBL23905108 0.72 KMT2A (0.65) KMT2AALDH1A1L3MBTL1MEN1NPSR1
SCHEMBL15577511 0.72 KMT2A (0.65) KMT2AALDH1A1L3MBTL1MEN1NPSR1
SCHEMBL10305008 0.70 KMT2A (0.50) KMT2AALDH1A1L3MBTL1MEN1NPSR1
SCHEMBL28312297 0.70 KMT2A (0.61) KMT2AALDH1A1L3MBTL1MEN1NPSR1
SCHEMBL31685827 0.69 KMT2A (0.65) KMT2AALDH1A1L3MBTL1MEN1NPSR1
SCHEMBL16684757 0.69 CYP1A2 (0.50) KMT2AMEN1LMNACYP1A2CYP2C19

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
WO-2014043252-A2 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-03-20 WO disclosed