SCHEMBL29566684

SCHEMBL29566684

COCc1ccccc1-c1cc(Oc2ccccc2)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ PGR P06401 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PIK3C2B O00750 1/20 0.42
▸ PIK3C2G O75747 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ HTR6 P50406 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ GPR39 O43194 1/20 0.37
▸ PRMT1 Q99873 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ TRIM24 O15164 1/20 0.36
▸ BRD1 O95696 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
SCHEMBL24309644 1.00 POLB (0.42) POLBPGRTSHRSMN1; SMN2PIK3C2B
SCHEMBL26810769 0.91 TSHR (0.50) PGRTSHRSMN1; SMN2MAPTGPR39
SCHEMBL29566936 0.88 SMN1; SMN2 (0.40) POLBPGRTSHRSMN1; SMN2PIK3C2B
SCHEMBL24310351 0.88 SMN1; SMN2 (0.40) POLBPGRTSHRSMN1; SMN2PIK3C2B
SCHEMBL24309603 0.86 POLB (0.45) POLBPGRTSHRSMN1; SMN2PIK3C2B
SCHEMBL24309297 0.85 PGR (0.52) PGRMAPTF2PRSS1PRSS2
SCHEMBL29567154 0.85 PGR (0.52) PGRMAPTF2PRSS1PRSS2
SCHEMBL29566697 0.85 TSHR (0.38) POLBTSHRSMN1; SMN2PIK3C2BPIK3C2G
SCHEMBL24309704 0.85 TSHR (0.38) POLBTSHRSMN1; SMN2PIK3C2BPIK3C2G
SCHEMBL26806726 0.84 POLB (0.43) POLBPGRTSHRSMN1; SMN2PIK3C2B

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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