SCHEMBL43981

SCHEMBL43981

CC(O)NCc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
USP2 O75604 1/20 0.37
THRB P10828 2/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL44625 0.87 MAPT (0.44) MAPTALDH1A1THRBKMT2AMEN1
SCHEMBL44515 0.85 MAPT (0.39) MAPTALDH1A1USP2THRBKMT2A
SCHEMBL13844940 0.84 MAPT (0.46) MAPTTHRBKMT2AMEN1LMNA
SCHEMBL44282 0.83 PPARA (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL44365 0.83 NOTUM (0.50) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL44394 0.83 THRB (0.46) MAPTALDH1A1USP2THRBKMT2A
SCHEMBL43982 0.83 PDCD1 (0.41) MAPTALDH1A1USP2THRBKMT2A
SCHEMBL16602631 0.82 ALDH1A1 (0.37) MAPTALDH1A1USP2THRBKMT2A
SCHEMBL16592815 0.82 MAPT (0.43) MAPTALDH1A1THRBKMT2AMEN1
SCHEMBL44472 0.81 HTT (0.40) MAPTKMT2ATSHRMAPK1

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