SCHEMBL28649850

SCHEMBL28649850

CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)c1cn(CCOS(C)(=O)=O)nn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.35
▸ CACNA1H O95180 5/20 0.35
▸ CYP2D6 P10635 4/20 0.35
▸ CACNA1I Q9P0X4 3/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ GRN P28799 4/20 0.33
▸ SORT1 Q99523 4/20 0.33
▸ FLT1 P17948 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ DDR1 Q08345 1/20 0.32
▸ CTSL P07711 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL28650916 0.88 GAA (0.38) MEN1KMT2A
SCHEMBL28654355 0.88 PTGS2 (0.33) KCNH2PTGS2DDR1CTSLCTSS
SCHEMBL28664307 0.87 HPGD (0.38) KCNH2CACNA1IPTGS2FLT1FLT4
SCHEMBL28670333 0.87 MMP2 (0.42) KCNH2CACNA1HCYP2D6CACNA1IPTGS2
SCHEMBL28658947 0.84 KCNH2 (0.37) KCNH2CACNA1HCYP2D6CACNA1IGRN
SCHEMBL28676235 0.84 ALDH1A1 (0.38) KCNH2CACNA1HCYP2D6CACNA1IGRN
SCHEMBL28664287 0.84 CACNA1H (0.39) KCNH2CACNA1HCYP2D6CACNA1IGRN
SCHEMBL28668464 0.83 KCNH2 (0.36) KCNH2CACNA1HCYP2D6CACNA1IGRN
SCHEMBL28670645 0.83 MEN1 (0.37) KCNH2CACNA1HCYP2D6CACNA1IGRN
SCHEMBL28658945 0.83 KCNH2 (0.36) KCNH2CACNA1HCYP2D6CACNA1IGRN

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-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 — — CN disclosed
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