SCHEMBL20041026

SCHEMBL20041026

CONc1ccc(Oc2ccccc2F)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
KDM4E B2RXH2 1/20 0.45
BRAF P15056 1/20 0.43
MAP4K4 O95819 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DGAT1 O75907 2/20 0.40
HPGD P15428 1/20 0.40
RAF1 P04049 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KCNH3 Q9ULD8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HSPB1 P04792 1/20 0.38
POLB P06746 1/20 0.38
ESR1 P03372 1/20 0.38
PABPC1 P11940 1/20 0.38
GCK P35557 1/20 0.38
AURKA O14965 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
SCHEMBL16792509 0.88 KMT2A (0.46) KMT2AMEN1KDM4ETDP1L3MBTL1
SCHEMBL20041007 0.85 KDM4E (0.43) KMT2AMEN1KDM4ELMNAHSPB1
SCHEMBL16792671 0.81 KMT2A (0.67) KMT2AMEN1KDM4EBRAFMAP4K4
SCHEMBL19676352 0.80 KMT2A (0.50) KMT2AMEN1KDM4EDGAT1HPGD
SCHEMBL8460938 0.78 KMT2A (0.66) KMT2AMEN1KDM4EMAP4K4TDP1
SCHEMBL6304413 0.74 KMT2A (1.00) KMT2AMEN1KDM4EMAP4K4HPGD
SCHEMBL510244 0.74 KMT2A (0.66) KMT2AMEN1KDM4EMAP4K4TDP1
SCHEMBL4252380 0.73 MEN1 (0.59) KMT2AMEN1KDM4EL3MBTL1MLNR
SCHEMBL14659263 0.72 MEN1 (0.48) KMT2AMEN1KDM4EBRAFL3MBTL1
SCHEMBL17440373 0.72 KMT2A (0.70) KMT2AMEN1MAP4K4L3MBTL1HPGD

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
EP-3080099-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-11 EP disclosed