SCHEMBL31411599

SCHEMBL31411599

COC(=O)c1cc2c(s1)C(C)(C)C(=O)N2Cc1csc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.41
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTPN2 P17706 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
GSK3B P49841 1/20 0.31
POLB P06746 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
SCHEMBL31411681 0.91 POLB (0.32) KCNN4HPGDPOLB
SCHEMBL31411547 0.85 KCNN4 (0.35) KCNN4MAPK1L3MBTL1NPSR1HPGD
SCHEMBL31411867 0.81 KCNN4 (0.46) KCNN4PKMMAPK1NPSR1TSHR
SCHEMBL31411797 0.81 KCNN4 (0.46) KCNN4PKMMAPK1NPSR1TSHR
SCHEMBL31411763 0.78 CFTR (0.40) MAPTGAAPOLBTP53
SCHEMBL31411610 0.76 SMN1; SMN2 (0.35) KCNN4NPC1MAPK1L3MBTL1NPSR1
SCHEMBL31411530 0.71 CMA1 (0.38) KCNN4MAPK1TSHRALDH1A1CYP1A2
SCHEMBL31411834 0.70 ELANE (0.54) NPSR1HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL31411574 0.69 ELANE (0.37) NPC1L3MBTL1NPSR1SMN1; SMN2MAPT
SCHEMBL31411705 0.67 BCHE (0.37) KCNN4NPC1PKMMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed