SCHEMBL30003158

SCHEMBL30003158

COc1cc(F)c(N)cc1S(=O)(=O)n1cc(C)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.51
FABP4 P15090 2/20 0.48
POLB P06746 3/20 0.45
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL28892442 0.81 FABP4 (0.43) HTR6FABP4POLBPKMSMN1; SMN2
SCHEMBL30002435 0.81 HTR6 (0.53) HTR6FABP4POLBPKM
SCHEMBL28892124 0.79 HTR6 (0.47) HTR6FABP4POLBPKMSMN1; SMN2
SCHEMBL30002530 0.78 HTR6 (0.48) HTR6FABP4POLBSMN1; SMN2HSD17B10
SCHEMBL28892904 0.71 HTR6 (0.52) HTR6FABP4POLBPKMSMN1; SMN2
SCHEMBL30002457 0.71 HTR6 (0.51) HTR6FABP4POLBPKMSMN1; SMN2
SCHEMBL28892452 0.71 HTR6 (0.51) HTR6FABP4POLBPKMSMN1; SMN2
SCHEMBL13125576 0.70 HTR6 (0.55) HTR6
SCHEMBL30002912 0.70 HTR6 (0.49) HTR6FABP4POLBSMN1; SMN2ALDH1A1
SCHEMBL30002820 0.70 HTR6 (0.49) HTR6FABP4POLBSMN1; SMN2ALDH1A1

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