SCHEMBL4048591

SCHEMBL4048591

Fc1cc(Br)cc(F)c1CN1CCSCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CYP2A13 Q16696 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
SCHEMBL3397520 0.86 L3MBTL1 (0.48) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL2106701 0.83 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL1427472 0.81 ALDH1A1 (0.49) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL3397376 0.79 GFER (0.51) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL4289837 0.79 CHKA (0.55) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL2800744 0.79 CYP2A13 (0.51) KDM4EALDH1A1MEN1KMT2ACYP2A13
SCHEMBL3637621 0.78 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ACYP2A13
SCHEMBL2574046 0.76 KMT2A (0.42) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL4293427 0.75 MBTD1 (0.41) KDM4EALDH1A1L3MBTL1POLB
SCHEMBL4287610 0.75 KDM4E (0.39) KDM4EALDH1A1POLBTDP1

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
EP-2066647-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS Novartis AG (CH) 2009-06-10 EP disclosed
WO-2008031594-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2008-03-20 WO disclosed