SCHEMBL39375

SCHEMBL39375

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.35
CD274 Q9NZQ7 3/20 0.35
TSHR P16473 3/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL44748 0.89 NOTUM (0.38) TSHRMAPTHPGDLMNAMAPK1
SCHEMBL44093 0.89 HDAC1 (0.40) TSHRHDAC1HDAC8MAPTHPGD
SCHEMBL44767 0.86 MAPK1 (0.40) TSHRMAPTHPGDLMNAMAPK1
SCHEMBL44261 0.85 MAPT (0.35) TSHRMAPTLMNAMAPK1SMN1; SMN2
SCHEMBL43982 0.83 PDCD1 (0.41) PDCD1CD274TSHRHDAC1HDAC8
SCHEMBL43634 0.83 MAPK1 (0.38) TSHRMAPTHPGDLMNAMAPK1
SCHEMBL44242 0.83 HPGD (0.39) TSHRMAPTHPGDLMNASMN1; SMN2
SCHEMBL44714 0.83 FFAR1 (0.36) MAPTHPGDLMNASMN1; SMN2PKM
SCHEMBL38269 0.82 L3MBTL1 (0.39) MAPTHPGDLMNASMN1; SMN2S1PR1
SCHEMBL43952 0.81 SMPD1 (0.36) MAPTLMNAS1PR1TP53

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