SCHEMBL29566852

SCHEMBL29566852

COc1ccc(S(=O)(=O)Nc2nc(Oc3ccccc3F)cc(-c3ccccc3C(C)C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ STAT3 P40763 3/20 0.43
▸ SCN9A Q15858 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40
▸ TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL24310180 1.00 TDP1 (0.44) TDP1STAT3SCN9ATSHRSMN1; SMN2
SCHEMBL29567008 0.92 TDP1 (0.45) TDP1SCN9ATSHRSMN1; SMN2GAA
SCHEMBL24309354 0.92 TDP1 (0.45) TDP1SCN9ATSHRSMN1; SMN2GAA
SCHEMBL24310082 0.91 ALPL (0.42) TDP1SCN9ATSHRSMN1; SMN2GAA
SCHEMBL29566627 0.91 ALPL (0.42) TDP1SCN9ATSHRSMN1; SMN2GAA
SCHEMBL26812870 0.91 TDP1 (0.47) TDP1SCN9ATSHRSMN1; SMN2GAA
SCHEMBL29566577 0.90 TDP1 (0.47) TDP1STAT3SCN9ATSHRSMN1; SMN2
SCHEMBL29567103 0.90 MAPT (0.47) TDP1TSHRSMN1; SMN2GAAALDH1A1
SCHEMBL26812759 0.90 MAPT (0.47) TDP1TSHRSMN1; SMN2GAAALDH1A1
SCHEMBL26812864 0.90 TDP1 (0.44) TDP1SCN9ATSHRGAAALDH1A1

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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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