SCHEMBL44612

SCHEMBL44612

Cc1ccccc1S(=O)(=O)NCc1cccc(-c2cn3ncccc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
POLB P06746 3/20 0.41
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 3/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CG P48736 1/20 0.39
NR3C2 P08235 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
MEN1 O00255 1/20 0.38
CYP19A1 P11511 2/20 0.38
KDM4E B2RXH2 1/20 0.37
APAF1 O14727 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL44570 0.88 CNR1 (0.40) POLBKMT2APIK3CDPIK3CGNR3C2
SCHEMBL44400 0.88 ALDH1A1 (0.45) POLBKMT2AALDH1A1PIK3CDPIK3CG
SCHEMBL44668 0.81 CYP19A1 (0.56) POLBKMT2AALDH1A1MAPTPIK3CD
SCHEMBL44344 0.80 TP53 (0.45) KMT2ASMN1; SMN2ALDH1A1PIK3CDPIK3CG
SCHEMBL12926166 0.78 PIK3CD (0.41) POLBKMT2AALDH1A1MAPTPIK3CD
SCHEMBL38873 0.78 CYP19A1 (0.47) ALDH1A1PIK3CDPIK3CGNR3C2BRD4
SCHEMBL44557 0.77 KMT2A (0.40) TSHRPOLBKMT2AHTTSMN1; SMN2
SCHEMBL44258 0.77 CYP19A1 (0.60) POLBKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL13844941 0.76 WDR5 (0.42) TSHRKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL22489446 0.76 PRMT6 (0.55) TSHRPOLBHTTSMN1; SMN2ALDH1A1

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