SCHEMBL29010740

SCHEMBL29010740

CNC(=S)NN=C(C)c1cccc(C(C)=O)n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.61
GAA P10253 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
HSP90AA1 P07900 3/20 0.49
ALDH1A1 P00352 3/20 0.47
ALOX12 P18054 2/20 0.44
MAPT P10636 1/20 0.44
HKDC1 Q2TB90 3/20 0.43
DUSP3 P51452 1/20 0.41
PTPN11 Q06124 1/20 0.41
SLC2A1 P11166 1/20 0.41
POLB P06746 1/20 0.41
AGTR1 P30556 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL31192684 0.84 ATM (0.51) HSP90AA1ALDH1A1
SCHEMBL5527648 0.84 ATM (0.51) HSP90AA1ALDH1A1
SCHEMBL5527650 0.84 ATM (0.51) HSP90AA1ALDH1A1
SCHEMBL28493192 0.78 ALDH1A1 (0.44) TOP2AGAATDP1ALDH1A1MAPT
SCHEMBL17987719 0.76 TOP2A (1.00) TOP2AGAANPSR1TDP1HSP90AA1
SCHEMBL29883013 0.76 TOP2A (1.00) TOP2AGAANPSR1TDP1HSP90AA1
SCHEMBL9321802 0.76 TOP2A (1.00) TOP2AGAANPSR1TDP1HSP90AA1
SCHEMBL13826733 0.74 LMNA (0.59) GAAHSP90AA1ALDH1A1MAPTHKDC1
SCHEMBL29010741 0.74 ATM (0.59) HSP90AA1
SCHEMBL13826734 0.74 ATM (0.59) HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116196468-B Dithiosemicarbazide modified injectable folic acid coupled polydopamine hydrogel and application thereof in antibacterial aspect 河南大学 2024-11-08 CN claimed
CN-116196468-A Dithiosemicarbazide modified injectable folic acid coupled polydopamine hydrogel and application thereof in antibacterial aspect 河南大学 2023-06-02 CN claimed
CN-116196468-B Dithiosemicarbazide modified injectable folic acid coupled polydopamine hydrogel and application thereof in antibacterial aspect 河南大学 2024-11-08 CN disclosed
CN-116196468-B Dithiosemicarbazide modified injectable folic acid coupled polydopamine hydrogel and application thereof in antibacterial aspect 河南大学 2024-11-08 CN disclosed
CN-116196468-A Dithiosemicarbazide modified injectable folic acid coupled polydopamine hydrogel and application thereof in antibacterial aspect 河南大学 2023-06-02 CN disclosed
CN-116196468-A Dithiosemicarbazide modified injectable folic acid coupled polydopamine hydrogel and application thereof in antibacterial aspect 河南大学 2023-06-02 CN disclosed