SCHEMBL30002599

SCHEMBL30002599

COc1cc(F)c(N2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)n1ccc2cc(F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.47
FABP4 P15090 3/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NR1H3 Q13133 2/20 0.38
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 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
SCHEMBL28892345 0.91 MEN1 (0.40) HTR6FABP4POLBL3MBTL1SMN1; SMN2
SCHEMBL30002738 0.90 HTR6 (0.46) HTR6FABP4POLBL3MBTL1SMN1; SMN2
SCHEMBL28892335 0.85 HTR6 (0.46) HTR6FABP4POLBSMN1; SMN2HSD17B10
SCHEMBL30002627 0.85 HTR6 (0.46) HTR6FABP4POLBSMN1; SMN2HSD17B10
SCHEMBL28959478 0.83 HTR6 (0.49) HTR6FABP4POLBSMN1; SMN2HSD17B10
SCHEMBL28892365 0.83 HTR6 (0.48) HTR6FABP4SMN1; SMN2HSD17B10KMT2A
SCHEMBL30002434 0.83 HTR6 (0.49) HTR6FABP4POLBSMN1; SMN2HSD17B10
SCHEMBL30002550 0.81 HTR6 (0.43) HTR6FABP4POLBL3MBTL1SMN1; SMN2
SCHEMBL30002457 0.79 HTR6 (0.51) HTR6FABP4POLBL3MBTL1SMN1; SMN2
SCHEMBL3116334 0.76 NR1H3 (0.44) SMN1; SMN2HSD17B10KMT2AMEN1NR1H3

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