SCHEMBL30662275

SCHEMBL30662275

CCS(=O)(=O)c1ccc(CNC(=O)c2cccnc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 3/20 0.57
▸ NAMPT P43490 8/20 0.53
▸ THRB P10828 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CA2 P00918 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL30065703 0.88 RORC (0.64) RORCNAMPTALDH1A1CA2
SCHEMBL30065034 0.84 TSHR (0.66) RORCNAMPTTHRBALDH1A1TSHR
SCHEMBL28705898 0.81 RORC (0.60) RORCNAMPTCA2
SCHEMBL23632693 0.81 RORC (0.55) RORCNAMPT
SCHEMBL28715187 0.79 RORC (0.57) RORCNAMPTCA2
SCHEMBL19925258 0.78 RORC (0.52) RORCNAMPT
SCHEMBL998521 0.77 NPC1 (0.63) THRBALDH1A1TSHRCA2SMN1; SMN2
SCHEMBL29415439 0.77 NPC1 (0.63) THRBALDH1A1TSHRCA2SMN1; SMN2
SCHEMBL28778419 0.76 NAMPT (0.55) RORCNAMPTALDH1A1CA2GAA
SCHEMBL29754338 0.76 NAMPT (0.55) RORCNAMPTALDH1A1CA2GAA

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
CN-117800904-A ROR gamma inhibitors containing sulfonyl structures 正大天晴药业集团股份有限公司 2024-04-02 — — CN disclosed
CN-113166061-B ROR gamma inhibitors containing sulfonyl structures 正大天晴药业集团股份有限公司 2023-11-21 — — CN disclosed
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