SCHEMBL44714

SCHEMBL44714

COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(COC(C)=O)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
GSTP1 P09211 4/20 0.35
MAPT P10636 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
P2RX3 P56373 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
SMPD1 P17405 1/20 0.33

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
SCHEMBL44767 0.90 MAPK1 (0.40) MAPTL3MBTL1HPGDPOLBSMN1; SMN2
SCHEMBL44748 0.88 NOTUM (0.38) MAPTL3MBTL1HPGDPOLBSMN1; SMN2
SCHEMBL43634 0.87 MAPK1 (0.38) MAPTL3MBTL1HPGDPOLBSMN1; SMN2
SCHEMBL44261 0.86 MAPT (0.35) MAPTL3MBTL1POLBSMN1; SMN2LMNA
SCHEMBL44205 0.85 SMPD1 (0.35) HPGDP2RX3SMPD1
SCHEMBL43903 0.85 KMT2A (0.39) FFAR1SIRT2GSTP1MAPTPOLB
SCHEMBL44454 0.84 CHEK2 (0.36) MAPTPOLBLMNAP2RX3HTT
SCHEMBL43952 0.84 SMPD1 (0.36) MAPTPOLBLMNASMPD1
SCHEMBL38269 0.83 L3MBTL1 (0.39) MAPTL3MBTL1HPGDSMN1; SMN2LMNA
SCHEMBL16592880 0.83 BRD4 (0.35) FFAR1MAPTSMN1; SMN2P2RX3

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