SCHEMBL28513667

SCHEMBL28513667

O=C(O)c1ccc(C(=O)Nc2ccc(C(=O)O)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.55
TP53 P04637 3/20 0.51
MAPT P10636 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MITF O75030 1/20 0.50
CSNK2A2 P19784 3/20 0.46
CSNK2A1 P68400 3/20 0.46
FFAR1 O14842 1/20 0.45
CPT1A P50416 1/20 0.44
CPT1B Q92523 1/20 0.44
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN11 Q06124 2/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL28482288 0.89 RNASEH1 (0.68) RNASEH1TP53MAPTNFKB1NFKB2
SCHEMBL5161529 0.87 RNASEH1 (0.50) RNASEH1TP53MAPTNFKB1NFKB2
SCHEMBL1893620 0.77 RNASEH1 (0.66) RNASEH1TP53MAPTNFKB1NFKB2
SCHEMBL6735515 0.76 PKM (0.69) RNASEH1TP53MAPTNFKB1NFKB2
SCHEMBL9596391 0.75 RARB (0.63) TSHRMEN1KMT2A
SCHEMBL12368674 0.73 DAO (0.47) RNASEH1TP53SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL4684147 0.73 DAO (0.42) RNASEH1RAB9AMEN1KMT2AGAA
SCHEMBL4714545 0.72 HPGD (0.53) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1483584 0.71 IDO1 (0.42) RNASEH1MAPTRAB9AMEN1KMT2A
SCHEMBL16471204 0.71 DAO (0.48) RAB9AMEN1KMT2AGAADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112239545-A Application of transition metal organic framework in anion detection 天津工业大学 2021-01-19 CN claimed
CN-112239665-A Application of bimetallic luminescence center organic material in cation detection 天津工业大学 2021-01-19 CN claimed
CN-112239545-A Application of transition metal organic framework in anion detection 天津工业大学 2021-01-19 CN disclosed
CN-112239665-A Application of bimetallic luminescence center organic material in cation detection 天津工业大学 2021-01-19 CN disclosed