SCHEMBL30002530

SCHEMBL30002530

COc1cc(F)c(N)cc1S(=O)(=O)n1ccc2c(Cl)cccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.48
FABP4 P15090 3/20 0.45
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
GAA P10253 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 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
SCHEMBL30002435 0.90 HTR6 (0.53) HTR6FABP4POLB
SCHEMBL28892124 0.82 HTR6 (0.47) HTR6FABP4POLBALDH1A1TSHR
SCHEMBL30002550 0.81 HTR6 (0.43) HTR6FABP4POLBALDH1A1TP53
SCHEMBL30002912 0.79 HTR6 (0.49) HTR6FABP4POLBALDH1A1TP53
SCHEMBL30002820 0.79 HTR6 (0.49) HTR6FABP4POLBALDH1A1TP53
SCHEMBL30003158 0.78 HTR6 (0.51) HTR6FABP4POLBALDH1A1TP53
SCHEMBL30002457 0.76 HTR6 (0.51) HTR6FABP4POLBTSHRSMN1; SMN2
SCHEMBL28892452 0.76 HTR6 (0.51) HTR6FABP4POLBTSHRSMN1; SMN2
SCHEMBL28892904 0.76 HTR6 (0.52) HTR6FABP4POLBALDH1A1TP53
SCHEMBL13548599 0.72 FABP4 (0.68) HTR6FABP4POLBALDH1A1SMN1; SMN2

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-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed