SCHEMBL7213112

SCHEMBL7213112

Cc1[nH]c2ccc(NS(=O)(=O)C(F)(F)F)cc2c1CC(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.47
PFKFB3 Q16875 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NFKB1 P19838 3/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
HTR1F P30939 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7207808 0.91 HTR1F (0.42) ANO1MEN1KMT2AKDM4EGAA
SCHEMBL7213100 0.82 KDM4E (0.57) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL7208174 0.82 PPARA (0.47) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL7213103 0.76 KDM4E (0.41) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL3523935 0.75 POLB (0.57) PFKFB3MEN1KMT2AMAPTPOLB
SCHEMBL6001794 0.73 NHERF1 (0.67) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7214330 0.72 KDM4E (0.56) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL6001729 0.72 NPC1 (0.42) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5432947 0.69 ALDH1A1 (0.67) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL7208144 0.69 KDM4E (0.41) MEN1KMT2AKDM4EPOLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003508382-A 2003-03-04 JP claimed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP claimed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 WO claimed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP disclosed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 WO disclosed