SCHEMBL44509

SCHEMBL44509

Cc1nc(-c2cccc(-c3cn4ccccc4n3)c2)no1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
KDM4E B2RXH2 12/20 0.52
RAB9A P51151 10/20 0.52
ALDH1A1 P00352 8/20 0.52
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HPGD P15428 4/20 0.52
PKM P14618 3/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 2/20 0.52
TP53 P04637 2/20 0.52
TSHR P16473 1/20 0.52
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
POLB P06746 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
BACE1 P56817 1/20 0.51

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
SCHEMBL44717 0.86 RAB9A (0.58) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL44466 0.82 BACE1 (0.48) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL43747 0.82 NOTUM (0.53) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL44657 0.82 KDM4E (0.52) L3MBTL1KDM4ERAB9AALDH1A1NPC1
SCHEMBL43804 0.80 L3MBTL1 (0.60) L3MBTL1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL25789107 0.80 KDM4E (0.60) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL25789161 0.79 KDM4E (0.58) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL25789344 0.79 KDM4E (0.58) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6394862 0.78 CASP3 (0.60) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL25789123 0.78 RAB9A (0.59) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2

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