SCHEMBL6800377

SCHEMBL6800377

CN(C)NC(=O)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.54
MPO P05164 1/20 0.54
CYP3A4 P08684 1/20 0.54
KDM5A P29375 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
HIF1A Q16665 1/20 0.54
ESRRG P62508 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL13182691 0.83 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL54839 0.81 LMNA (0.53) CYP3A4BLMPMP22HIF1AESRRG
N',N'-Dimethylbenzohydrazide SCHEMBL952727 0.80 POLB (0.56) CYP3A4ALDH1A1MAPTKMT2ACA12
SCHEMBL21164232 0.78 CES2 (0.55)
SCHEMBL13006679 0.78 HPGD (0.55) ESRRGALDH1A1MEN1KMT2AHPGD
SCHEMBL2996638 0.77 ALDH1A1 (0.59) GFERMPOCYP3A4ALDH1A1MAPT
SCHEMBL22635864 0.77 HDAC1 (0.39) CYP3A4ALDH1A1MAPTKMT2ATDP1
SCHEMBL24370842 0.76 TAS1R3 (0.51) MPOESRRGALDH1A1MAPTKMT2A
SCHEMBL159659 0.75 HDAC2 (0.67) GFERMPOCYP3A4KDM5ABLM
SCHEMBL29202850 0.74 GFER (0.65) GFERMPOCYP3A4KDM5ABLM

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