SCHEMBL28892452

SCHEMBL28892452

COc1cc(F)c(N)cc1S(=O)(=O)n1ccc2ccc(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.51
FABP4 P15090 3/20 0.47
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
CPT2 P23786 2/20 0.41
CPT1A P50416 2/20 0.41
CPT1B Q92523 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL30002457 0.91 HTR6 (0.51) HTR6FABP4POLBKMT2APKM
SCHEMBL30002912 0.89 HTR6 (0.49) HTR6FABP4POLBKMT2AMEN1
SCHEMBL28892124 0.87 HTR6 (0.47) HTR6FABP4POLBKMT2AMEN1
SCHEMBL30002820 0.82 HTR6 (0.49) HTR6FABP4POLBCPT1ACPT1B
SCHEMBL30002435 0.79 HTR6 (0.53) HTR6FABP4POLBPKM
SCHEMBL28892904 0.79 HTR6 (0.52) HTR6FABP4POLBKMT2APKM
SCHEMBL30002530 0.76 HTR6 (0.48) HTR6FABP4POLBSMN1; SMN2HSD17B10
SCHEMBL30003158 0.71 HTR6 (0.51) HTR6FABP4POLBPKMSMN1; SMN2
SCHEMBL27598459 0.71 FABP4 (0.54) HTR6FABP4KMT2AMEN1TSHR
SCHEMBL29496836 0.69 HTR6 (0.56) HTR6FABP4KMT2AMEN1

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