SCHEMBL29566753

SCHEMBL29566753

Cc1ccccc1Oc1cc(-c2ccccc2C)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ PIK3C2B O00750 1/20 0.40
▸ PIK3C2G O75747 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ PRMT1 Q99873 1/20 0.37
▸ NPY5R Q15761 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
SCHEMBL24309642 1.00 POLB (0.43) POLBSMN1; SMN2TSHRMAPTPIK3C2B
SCHEMBL24309603 0.90 POLB (0.45) POLBSMN1; SMN2TSHRMAPTPIK3C2B
SCHEMBL29566936 0.90 SMN1; SMN2 (0.40) POLBSMN1; SMN2TSHRMAPTPIK3C2B
SCHEMBL24310351 0.90 SMN1; SMN2 (0.40) POLBSMN1; SMN2TSHRMAPTPIK3C2B
SCHEMBL26807167 0.89 MAPT (0.45) POLBSMN1; SMN2TSHRMAPTPIK3C2B
SCHEMBL24310577 0.86 SMN1; SMN2 (0.40) POLBSMN1; SMN2TSHRMAPTPIK3C2B
SCHEMBL29566688 0.86 SMN1; SMN2 (0.40) POLBSMN1; SMN2TSHRMAPTPIK3C2B
SCHEMBL26807163 0.86 SMN1; SMN2 (0.40) POLBSMN1; SMN2TSHRMAPTPIK3C2B
SCHEMBL29567277 0.85 PGR (0.42) POLBSMN1; SMN2TSHRMAPTPKM
SCHEMBL26807133 0.85 PGR (0.42) POLBSMN1; SMN2TSHRMAPTPKM

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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