SCHEMBL6806232

SCHEMBL6806232

CC(=O)NN(C(=O)c1ccc(O)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.49
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
HPGD P15428 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CES2 O00748 1/20 0.43
ESR1 P03372 3/20 0.41
ESR2 Q92731 2/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL11783973 0.94 TDP1 (0.58) TDP1L3MBTL1RAB9ASMN1; SMN2HTT
SCHEMBL6804365 0.83 KDM4E (0.61) TDP1L3MBTL1RAB9ASMN1; SMN2HTT
SCHEMBL6799807 0.78 STS (0.54) TDP1L3MBTL1
SCHEMBL14989351 0.77 KMT2A (0.51) TDP1L3MBTL1RAB9ASMN1; SMN2HTT
SCHEMBL1888642 0.75 ALDH1A1 (0.59) TDP1L3MBTL1RAB9ASMN1; SMN2HTT
SCHEMBL11513125 0.74 KMT2A (0.49) TDP1L3MBTL1RAB9ASMN1; SMN2HTT
SCHEMBL11320493 0.74 KMT2A (0.66) RAB9AHTTKMT2ACES2NPC1
SCHEMBL8173955 0.74 TDP1 (1.00) TDP1L3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL2114814 0.73 ESR1 (0.66) RAB9ASMN1; SMN2HTTMEN1KMT2A
SCHEMBL729118 0.73 CES2 (0.54) TDP1L3MBTL1RAB9ASMN1; SMN2HTT

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
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed