SCHEMBL44657

SCHEMBL44657

COCc1nc(-c2cccc(-c3cn4ccccc4n3)c2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.52
ALDH1A1 P00352 10/20 0.52
RAB9A P51151 9/20 0.52
SMN1; SMN2 Q16637 8/20 0.52
NPC1 O15118 6/20 0.52
HPGD P15428 6/20 0.52
PKM P14618 4/20 0.52
TP53 P04637 3/20 0.52
MAPK1 P28482 3/20 0.52
HSD17B10 Q99714 3/20 0.52
TSHR P16473 1/20 0.52
EPHX2 P34913 1/20 0.47
BACE1 P56817 2/20 0.47
BACE2 Q9Y5Z0 2/20 0.47
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CASP3 P42574 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
SCHEMBL43747 0.85 NOTUM (0.53) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL44280 0.83 POLB (0.51) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL44465 0.83 MAPK1 (0.45) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL44509 0.82 L3MBTL1 (0.60) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL44717 0.80 RAB9A (0.58) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL44368 0.79 SMN1; SMN2 (0.43) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL44466 0.76 BACE1 (0.48) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL25789107 0.74 KDM4E (0.60) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2089122 0.74 RAB9A (0.69) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL25789344 0.73 KDM4E (0.58) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1

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