SCHEMBL4667266

SCHEMBL4667266

Cc1cc(OS(N)(=O)=O)ccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 10/20 0.47
▸ CA9 Q16790 9/20 0.47
▸ CA1 P00915 8/20 0.47
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ STS P08842 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALPL P05186 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ CA12 O43570 1/20 0.38

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
SCHEMBL8158755 0.83 HSD17B10 (0.49) HSD17B10ALDH1A1TDP1KMT2AMAPT
SCHEMBL4667326 0.79 ALDH1A1 (0.57) CA2CA9CA1ALDH1A1TDP1
SCHEMBL27571950 0.77 CA2 (0.53) CA2CA9CA1ALDH1A1TDP1
SCHEMBL31542121 0.75 MAOB (0.56) HSD17B10ALDH1A1TDP1KMT2AMAPT
SCHEMBL30564320 0.73 HSD17B10 (0.69) HSD17B10ALDH1A1TDP1SMN1; SMN2GAA
SCHEMBL2360248 0.73 HSD17B10 (0.69) HSD17B10ALDH1A1TDP1SMN1; SMN2GAA
SCHEMBL17727815 0.73 HSD11B1 (0.59) HSD17B10ALDH1A1TDP1KMT2AMAPT
SCHEMBL31903 0.73 HSD17B10 (0.50) HSD17B10ALDH1A1TDP1KMT2AMAPT
SCHEMBL27565486 0.72 CA2 (0.72) CA2CA9CA1ALDH1A1TDP1
SCHEMBL27273944 0.69 CA2 (0.61) CA2CA9CA1STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1193250-B1 PHENYL SULFAMATE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2008-06-04 — — EP disclosed
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
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