SCHEMBL28053753

SCHEMBL28053753

CN(O[SH](=O)=O)c1ccc2cc(C(=O)O)[nH]c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.36
▸ EIF4A3 P38919 2/20 0.36
▸ PIN1 Q13526 1/20 0.35
▸ HPGD P15428 5/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SRD5A2 P31213 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ SMAD3 P84022 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ F7 P08709 1/20 0.33
▸ F3 P13726 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ APEX1 P27695 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
SCHEMBL28949855 0.75 PIN1 (0.40) DAOEIF4A3PIN1HPGDKDM4E
SCHEMBL28053972 0.75 GPR35 (0.40) DAOEIF4A3PIN1HPGDKDM4E
SCHEMBL28225483 0.75 EIF4A3 (0.49) DAOEIF4A3PIN1HPGDKDM4E
Hydrochloric Acid SCHEMBL28226226 0.74 EIF4A3 (0.48) DAOEIF4A3PIN1HPGDKDM4E
SCHEMBL25232378 0.70 PIN1 (0.49) DAOEIF4A3PIN1HPGDKDM4E
SCHEMBL23147961 0.70 CLK1 (0.50) DAOEIF4A3PIN1HPGDKDM4E
SCHEMBL29721903 0.70 CLK1 (0.50) DAOEIF4A3PIN1HPGDKDM4E
SCHEMBL27554477 0.69 SMAD3 (0.47) DAOEIF4A3PIN1HPGDKDM4E
SCHEMBL27554440 0.69 EIF4A3 (0.46) DAOEIF4A3PIN1HPGDKDM4E
SCHEMBL28263981 0.69 KDM4E (0.46) DAOEIF4A3PIN1HPGDKDM4E

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-105283443-A Heterocyclic derivatives and use thereof C & C RES LAB 2016-01-27 — — CN disclosed
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