SCHEMBL6800974

SCHEMBL6800974

CNS(=O)(=O)Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
ADAMTS4 O75173 1/20 0.47
CA2 P00918 3/20 0.41
CA12 O43570 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
PTPN1 P18031 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
IKBKB O14920 1/20 0.38
S100A4 P26447 2/20 0.38
PTPRC P08575 1/20 0.38
APEX1 P27695 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
CA1 P00915 1/20 0.37
MMP1 P03956 1/20 0.37

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
SCHEMBL4667326 0.81 ALDH1A1 (0.57) ALDH1A1TDP1ADAMTS4CA2CA12
SCHEMBL2961408 0.77 ALDH1A1 (0.65) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL3335019 0.77 ALDH1A1 (0.69) ALDH1A1TDP1ADAMTS4HRH2HRH1
SCHEMBL14596863 0.76 ALDH1A1 (0.56) ALDH1A1TDP1CA2MEN1KMT2A
SCHEMBL14596865 0.76 CA1 (0.61) ALDH1A1CA2CA12MEN1KMT2A
SCHEMBL27545486 0.75 CA2 (0.59) ADAMTS4CA2CA12MEN1KMT2A
SCHEMBL8697204 0.74 ALDH1A1 (0.65) ALDH1A1TDP1ADAMTS4PTPN1MEN1
SCHEMBL9311171 0.74 ALDH1A1 (0.65) ALDH1A1TDP1ADAMTS4DRD1
SCHEMBL10451884 0.74 ALDH1A1 (0.69) ALDH1A1TDP1ADAMTS4PTPN1MEN1
SCHEMBL7773844 0.74 ALDH1A1 (0.59) ALDH1A1TDP1ADAMTS4HRH2HRH1

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