SCHEMBL44394

SCHEMBL44394

CS(=O)(=O)NCc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
MAPT P10636 7/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ACLY P53396 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 3/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL44655 0.88 THRB (0.39) THRBMAPTALDH1A1KDM4EPOLB
SCHEMBL44515 0.86 MAPT (0.39) THRBMAPTALDH1A1POLBUSP2
SCHEMBL13844940 0.85 MAPT (0.46) THRBMAPTPOLBKMT2AMEN1
SCHEMBL44282 0.84 PPARA (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL44625 0.83 MAPT (0.44) THRBMAPTALDH1A1KDM4EPOLB
SCHEMBL16602631 0.83 ALDH1A1 (0.37) THRBMAPTALDH1A1USP2KMT2A
SCHEMBL43981 0.83 MAPT (0.37) THRBMAPTALDH1A1POLBUSP2
SCHEMBL16592815 0.82 MAPT (0.43) THRBMAPTALDH1A1KMT2AMEN1
SCHEMBL44472 0.82 HTT (0.40) MAPTKMT2ATP53
SCHEMBL43982 0.82 PDCD1 (0.41) THRBMAPTALDH1A1USP2KMT2A

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 3 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
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed