SCHEMBL44093

SCHEMBL44093

COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(CNCc3ccccc3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC2 Q92769 4/20 0.38
MAPT P10636 3/20 0.35
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
ROCK2 O75116 1/20 0.34
GRK2 P25098 1/20 0.34
HPGD P15428 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
SCHEMBL39375 0.89 PDCD1 (0.35) HDAC1HDAC8HDAC2MAPTTSHR
SCHEMBL44767 0.86 MAPK1 (0.40) MAPTTSHRL3MBTL1LMNANPC1
SCHEMBL44261 0.85 MAPT (0.35) MAPTTSHRL3MBTL1LMNANPC1
SCHEMBL44748 0.85 NOTUM (0.38) MAPTTSHRL3MBTL1LMNAMAPK1
SCHEMBL43634 0.83 MAPK1 (0.38) MAPTTSHRL3MBTL1LMNANPC1
SCHEMBL38269 0.82 L3MBTL1 (0.39) MAPTL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL44205 0.81 SMPD1 (0.35) HPGD
SCHEMBL44714 0.81 FFAR1 (0.36) MAPTL3MBTL1LMNASMN1; SMN2HPGD
SCHEMBL43952 0.80 SMPD1 (0.36) MAPTLMNA
SCHEMBL43886 0.79 HDAC6 (0.41) HDAC1HDAC8

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