SCHEMBL44636

SCHEMBL44636

CCS(=O)(=O)NCc1cccc(-c2cn3cc(C)sc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.38
USP2 O75604 2/20 0.38
PRMT6 Q96LA8 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B2 P19099 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
WDR5 P61964 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
SCHEMBL44862 0.85 GAA (0.47) TP53SMN1; SMN2THRBALDH1A1MAPT
SCHEMBL44557 0.85 KMT2A (0.40) TP53SMN1; SMN2THRBALDH1A1MAPT
SCHEMBL39342 0.84 CYP19A1 (0.53) TP53SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL44780 0.83 ALDH1A1 (0.44) TP53SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL44139 0.83 ALDH1A1 (0.43) TP53SMN1; SMN2THRBALDH1A1MAPT
SCHEMBL45229 0.83 TP53 (0.41) TP53SMN1; SMN2THRBALDH1A1MAPT
SCHEMBL44302 0.83 SMN1; SMN2 (0.50) TP53SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL39660 0.82 CYP19A1 (0.56) TP53THRBALDH1A1MAPTKMT2A
SCHEMBL45277 0.81 TP53 (0.49) TP53ALDH1A1MAPTKMT2AMEN1
SCHEMBL44918 0.81 CYP19A1 (0.44) TP53SMN1; SMN2ALDH1A1MAPTHPGD

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