SCHEMBL44280

SCHEMBL44280

COCC(=O)NCc1nc(-c2cccc(-c3cn4ccccc4n3)c2)no1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
ALDH1A1 P00352 8/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 5/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 3/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
SMO Q99835 1/20 0.47
GFER P55789 1/20 0.46
THRB P10828 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
SCHEMBL44935 0.86 POLB (0.49) POLBALDH1A1KMT2AMEN1TSHR
SCHEMBL46488 0.83 KDM4E (0.57) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL44657 0.83 KDM4E (0.52) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL43747 0.80 NOTUM (0.53) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL44717 0.75 RAB9A (0.58) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL44509 0.74 L3MBTL1 (0.60) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL44298 0.73 POLB (0.45) POLBALDH1A1KMT2AMEN1TSHR
SCHEMBL13844940 0.73 MAPT (0.46) POLBKMT2AMEN1TSHRLMNA
SCHEMBL25263897 0.73 KDM4E (0.65) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL44625 0.72 MAPT (0.44) POLBALDH1A1KMT2AMEN1KDM4E

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
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed