SCHEMBL9515257

SCHEMBL9515257

Cc1ccc([N+](=O)[O-])c(S(=O)(=O)O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 8/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CYP1A2 P05177 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
SCHEMBL28203910 0.86 TSHR (0.47) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL2314823 0.84 TSHR (0.49) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL11502256 0.83 TDP1 (0.46) TSHRTDP1ALDH1A1CRHBPCRHR2
SCHEMBL11520845 0.83 TSHR (0.47) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL31058373 0.83 VCAM1 (0.45) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL8764002 0.82 TSHR (0.47) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL11802146 0.81 TSHR (0.49) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
Hydrochloric Acid SCHEMBL11755802 0.79 TSHR (0.47) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL731101 0.79 TSHR (0.56) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL11759847 0.77 TSHR (0.55) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0380067-B1 IMPROVED METHOD OF LUBRICATING IRON AND STEEL BEFORE COLD WORKING HENKEL CORPORATION (US) 1993-05-26 — — EP claimed
EP-0380067-A1 Improved method of lubricating iron and steel before cold working HENKEL CORPORATION (US) 1990-08-01 — — EP claimed
CN-1316061-C Composition and treatment liquid for surface treatment, surface treatment method and product with metal material NIPPON BACAREI KAMIYA CORP (JP) 2007-05-16 — — CN disclosed
CN-1493712-A Composition and treatment liquid for surface treatment, surface treatment method and product with metal material 日本巴卡黎神谷股份有限公司 2004-05-05 — — CN disclosed
EP-0380067-B1 IMPROVED METHOD OF LUBRICATING IRON AND STEEL BEFORE COLD WORKING HENKEL CORPORATION (US) 1993-05-26 — — EP disclosed
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