SCHEMBL28996436

SCHEMBL28996436

COc1c(CO)cn(S(=O)(=O)c2cccc(C)n2)c1-c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ FABP4 P15090 2/20 0.35
▸ FABP5 Q01469 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ HTR6 P50406 5/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ FABP3 P05413 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ F2RL3 Q96RI0 1/20 0.31
▸ CTSA P10619 1/20 0.31

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
SCHEMBL25436123 0.89 GRM5 (0.39) GRM5KMT2ASMN1; SMN2HSD17B10FABP4
SCHEMBL28996388 0.86 GRM5 (0.42) GRM5KMT2ASMN1; SMN2HSD17B10FABP4
SCHEMBL26650942 0.84 GRM5 (0.37) GRM5KMT2ASMN1; SMN2HSD17B10POLB
SCHEMBL23658928 0.83 HTR6 (0.42) KMT2ASMN1; SMN2FABP4FABP5HTR6
SCHEMBL28996389 0.81 PTGS2 (0.40) KMT2AFABP4FABP5POLBHTR6
SCHEMBL30287358 0.81 PTGS2 (0.40) KMT2AFABP4FABP5POLBHTR6
SCHEMBL25317303 0.79 SMN1; SMN2 (0.41) GRM5KMT2ASMN1; SMN2HSD17B10POLB
SCHEMBL30287349 0.77 MEN1 (0.36) GRM5KMT2AFABP4FABP5HTR6
SCHEMBL28997127 0.77 MEN1 (0.36) GRM5KMT2AFABP4FABP5HTR6
SCHEMBL25313711 0.74 NFE2L2 (0.35) KMT2ASMN1; SMN2HSD17B10POLBPKM

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-115884968-B Novel acid secretion inhibitor and use thereof 日东制药株式会社 2024-06-21 — — CN disclosed
CN-115884968-A Novel acid secretion inhibitor and use thereof 日东制药株式会社 2023-03-31 — — CN disclosed
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