SCHEMBL28312087

SCHEMBL28312087

C=CS(=O)(=O)Nc1cccc(N2C(=O)c3cc(S(=O)(=O)O)cc4c(N)c(S(=O)(=O)O)cc(c34)C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ USP2 O75604 3/20 0.34
▸ KEAP1 Q14145 3/20 0.34
▸ NFE2L2 Q16236 3/20 0.34
▸ BTK Q06187 4/20 0.33
▸ SRC P12931 4/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PLEC Q15149 1/20 0.33
▸ GNG2 P59768 2/20 0.33
▸ GNB1 P62873 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL28312269 0.86 MEN1 (0.37) KMT2AMEN1BTKSRCPSMD14
SCHEMBL28451650 0.85 KMT2A (0.37) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL28898006 0.84 KMT2A (0.36) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL28313061 0.77 KMT2A (0.60) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL13870630 0.75 KMT2A (0.39) KMT2AMEN1USP2KEAP1NFE2L2
Lithium Ion SCHEMBL95351 0.72 CLTC (0.44) KMT2AMEN1USP2KEAP1NFE2L2
Lithium Ion SCHEMBL29875131 0.72 CLTC (0.44) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL27851603 0.70 NPC1 (0.42) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL16097930 0.69 ALDH1A1 (0.33) ALDH1A1CYP2C9CYP2C19HSD17B10CLTC
SCHEMBL14636508 0.68 CLTC (0.51) KMT2AMEN1USP2ALDH1A1HPGD

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-110028253-A A kind of high-performance cement and preparation method thereof 梁剑 2019-07-19 — — CN claimed
CN-110028253-A A kind of high-performance cement and preparation method thereof 梁剑 2019-07-19 — — CN disclosed
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