SCHEMBL6794239

SCHEMBL6794239

CN(C(=O)c1ccc(O)cc1)c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
PGR P06401 1/20 0.51
PDK2 Q15119 2/20 0.50
PDK1 Q15118 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
HSP90AA1 P07900 1/20 0.49
P4HB P07237 1/20 0.48
MMP3 P08254 1/20 0.47
KMT2A Q03164 2/20 0.47
NSD2 O96028 1/20 0.47
CA1 P00915 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6802143 0.86 HSP90AA1 (0.60) CA2CA12CA3CA6CA9
Water SCHEMBL11222637 0.86 PGR (0.50) CA2PGRPDK2PDK1PDK3
SCHEMBL29273240 0.85 KMT2A (0.62) PGRKMT2ANSD2MEN1NPC1
Water SCHEMBL11222627 0.84 PGR (0.49) CA2PGRPDK2PDK1PDK3
SCHEMBL2112966 0.83 CA2 (0.55) CA2CA12CA3CA6CA9
SCHEMBL15480656 0.83 HDAC6 (0.50) PGRKMT2ANSD2MLYCD
SCHEMBL6800382 0.83 MCHR1 (0.55) PGRPDK2PDK1PDK3PDK4
SCHEMBL12528004 0.81 HSP90AA1 (0.55) PDK2HSP90AA1KMT2AMEN1NPC1
SCHEMBL21780123 0.80 HSP90AA1 (0.54) PDK2HSP90AA1KMT2ANPC1ALDH1A1
SCHEMBL2113091 0.78 ESR1 (0.56) CA2CA12CA3CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1308297-C Phenyl sulfamate derivs. TEIKOKU HORMONE MFG CO LTD (JP) 2007-04-04 CN disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
CN-1360570-A Phenyl sulfamate derivs. TEIKOKU HORMONE MFG CO LTD (JP) 2002-07-24 CN disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed