SCHEMBL4535018

SCHEMBL4535018

CS(=O)(=O)Nc1cc(CC(N)=O)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.46
KMT2A Q03164 2/20 0.44
MCL1 Q07820 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IKBKB O14920 2/20 0.44
CHUK O15111 2/20 0.44
HPGD P15428 2/20 0.42
CKS1B P61024 1/20 0.42
GLO1 Q04760 1/20 0.42
SKP2 Q13309 1/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4535022 0.84 KDM1A (0.53) ADRB3KMT2AMCL1MEN1LMNA
SCHEMBL30841998 0.79 ADRA2A (0.62) ADRB3ADRA2AADRA2BADRA2CADRA1A
SCHEMBL4303130 0.76 NPC1 (0.43) ADRB3HPGDNPC1KDM4EALDH1A1
SCHEMBL28174998 0.75 HPGD (0.51) LMNAGAAHPGDNPC1NFKB1
SCHEMBL3657859 0.75 ADRB3 (0.42) ADRB3ADRA2AADRA2BADRA2CADRA1A
SCHEMBL3633978 0.75 TRPV1 (0.51)
SCHEMBL6707802 0.74 ADRA2A (0.43) ADRB3LMNAHPGDNPC1KDM4E
SCHEMBL15771314 0.73 CKS1B (0.47) KMT2AMCL1LMNAL3MBTL1CKS1B
SCHEMBL1815685 0.72 CYP1A2 (0.50) KMT2ALMNAGAAHPGDNPC1
SCHEMBL13513281 0.72 ALDH1A1 (0.54) IKBKBCHUKALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO claimed