SCHEMBL30288807

SCHEMBL30288807

CN(C)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
ESR1 P03372 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KIF11 P52732 3/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
VCAM1 P19320 1/20 0.40
POLB P06746 1/20 0.40
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 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
SCHEMBL20765376 1.00 MAPT (0.55) MAPTESR1ALDH1A1HTTLMNA
SCHEMBL19145383 0.81 L3MBTL1 (0.44) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL847830 0.81 KMT2A (0.50) MAPTESR1ALDH1A1HDAC4HDAC6
SCHEMBL14478168 0.81 KIF11 (0.50) MAPTESR1HTTLMNASMN1; SMN2
SCHEMBL28450717 0.80 KIF11 (0.41) MAPTESR1HTTLMNASMN1; SMN2
SCHEMBL29913597 0.79 KIF11 (0.51) KIF11
SCHEMBL1541448 0.79 KIF11 (0.51) KIF11
SCHEMBL19117614 0.78 RORC (0.44) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL8490622 0.78 LMNA (0.48) HTTLMNASMN1; SMN2TRPV4KDM4E
SCHEMBL1459011 0.78 TRPV4 (0.42) MAPTESR1ALDH1A1HTTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116462674-A Morpholinyl pyridone compounds 思普瑞特生物科学公司 2023-07-21 CN disclosed
CN-116444510-A Morpholinyl pyridone compounds 思普瑞特生物科学公司 2023-07-18 CN disclosed
CN-111108102-B Morpholinyl pyridone compounds 思普瑞特生物科学公司 2023-04-28 CN disclosed