SCHEMBL8607666

SCHEMBL8607666

CCN(c1ccccc1C(=O)N1CC(Cl)=C(C2CC2)O1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 2/20 0.32
MGLL Q99685 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8607672 0.73 L3MBTL1 (0.34) TSHRKEAP1NFE2L2L3MBTL1MEN1
SCHEMBL7554537 0.68 KMT2A (0.54) L3MBTL1LMNAKMT2AMAPK1ALDH1A1
SCHEMBL7558733 0.67 KMT2A (0.36) TSHRKEAP1NFE2L2L3MBTL1KMT2A
SCHEMBL7553096 0.66 ALDH1A1 (0.38) TSHRL3MBTL1MEN1LMNAKMT2A
SCHEMBL27450361 0.66 KMT2A (0.49) TSHRL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL8606545 0.66 LMNA (0.40) L3MBTL1LMNAKDM4EALDH1A1MGLL
SCHEMBL7554588 0.60 ALDH1A1 (0.36) TSHRL3MBTL1MEN1LMNAKMT2A
SCHEMBL7554590 0.60 ALDH1A1 (0.36) TSHRL3MBTL1MEN1LMNAKMT2A
SCHEMBL4679853 0.59 HTR2C (0.46)
SCHEMBL7559631 0.59 TP53 (0.39) TSHRMEN1LMNAKMT2AALDH1A1

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
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed