SCHEMBL29451557

SCHEMBL29451557

Cc1ccc([N+](=O)[O-])c(C)c1S(=O)(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 8/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ 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 1/20 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

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 1.00 TSHR (0.47) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL8764002 0.86 TSHR (0.47) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL11755785 0.84 TSHR (0.49) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL28203910 0.82 TSHR (0.47) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL4815935 0.79 TDP1 (0.54) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL30908227 0.79 TSHR (0.56) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL8764130 0.79 TSHR (0.56) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL4091751 0.76 TDP2 (0.39) TSHRTDP1HSD17B10CYP3A4ALDH1A1
SCHEMBL31058324 0.76 VCAM1 (0.45) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4
SCHEMBL3192674 0.74 TSHR (0.65) TSHRSMN1; SMN2TDP1HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 — — WO disclosed
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