SCHEMBL8764002

SCHEMBL8764002

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TDP1 Q9NUW8 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ CRHBP P24387 2/20 0.38
▸ CRHR2 Q13324 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ VCAM1 P19320 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10538992 0.86 TSHR (0.47) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL29451557 0.86 TSHR (0.47) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL31058324 0.83 VCAM1 (0.45) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL9515257 0.82 TSHR (0.47) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL11755785 0.81 TSHR (0.49) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL8764130 0.79 TSHR (0.56) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL30908227 0.79 TSHR (0.56) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL4091751 0.76 TDP2 (0.39) TSHRTDP1HSD17B10CYP3A4ALDH1A1
SCHEMBL4815935 0.76 TDP1 (0.54) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL28776957 0.75 TDP1 (0.52) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037568-C Phosphosulfonate herbicides ROHM & HAAS (US) 1998-03-04 — — CN disclosed
CN-1165144-A Phosphosulfonate herbicides ROHM & HAAS (US) 1997-11-19 — — CN disclosed
CN-1165143-A Phosphosulfonate herbicides ROHM & HAAS (US) 1997-11-19 — — CN disclosed
EP-0511826-B1 Phosphosulfonate herbicides ROHM & HAAS (US) 1997-07-16 — — EP disclosed
US-5500405-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1996-03-19 — — US disclosed
US-5272128-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1993-12-21 — — US disclosed
CN-1066266-A PHOSPHOSULFONATE HERBICIDES ROHM & HAAS (US) 1992-11-18 — — CN disclosed
EP-0511826-A2 Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1992-11-04 — — EP disclosed
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