SCHEMBL28250648

SCHEMBL28250648

CCN1c2ccccc2SC1C=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ BCHE P06276 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ IDE P14735 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ CACNA1C Q13936 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL28863165 0.85 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTHPGDHTT
SCHEMBL6522037 0.81 PPARG (0.36) ALDH1A1SMN1; SMN2MAPTHPGDHTT
SCHEMBL6522033 0.81 PPARG (0.36) ALDH1A1SMN1; SMN2MAPTHPGDHTT
SCHEMBL6522028 0.81 PPARG (0.36) ALDH1A1SMN1; SMN2MAPTHPGDHTT
SCHEMBL27609087 0.80 GSK3B (0.34) SMN1; SMN2PPARGGSK3BMEN1KMT2A
SCHEMBL27511099 0.80 MEN1 (0.38) GSK3BMEN1KMT2A
SCHEMBL16215920 0.79 MEN1 (0.36) ALDH1A1SMN1; SMN2GSK3BBCHEMEN1
SCHEMBL28068610 0.78 GSK3B (0.30) GSK3B
SCHEMBL27590540 0.78 GSK3B (0.33) ALDH1A1SMN1; SMN2MAPTHTTPPARG
SCHEMBL13646918 0.77 PPARG (0.34) ALDH1A1SMN1; SMN2MAPTHPGDHTT

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-108752289-B Synthesis method of 2,2' -hydrazine-bis (3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt 南京艾普特生物医药有限公司 2021-12-03 — — CN claimed
CN-108752289-A 2,2 '-hydrazines-bis-(3- ethyl benzo thiazole phenanthroline -6- sulfonic acid)The synthetic method of diamine salts 南京艾普特生物医药有限公司 2018-11-06 — — CN claimed
CN-108752289-B Synthesis method of 2,2' -hydrazine-bis (3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt 南京艾普特生物医药有限公司 2021-12-03 — — CN disclosed
CN-108752289-B Synthesis method of 2,2' -hydrazine-bis (3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt 南京艾普特生物医药有限公司 2021-12-03 — — CN disclosed
CN-108752289-A 2,2 '-hydrazines-bis-(3- ethyl benzo thiazole phenanthroline -6- sulfonic acid)The synthetic method of diamine salts 南京艾普特生物医药有限公司 2018-11-06 — — CN disclosed
CN-108752289-A 2,2 '-hydrazines-bis-(3- ethyl benzo thiazole phenanthroline -6- sulfonic acid)The synthetic method of diamine salts 南京艾普特生物医药有限公司 2018-11-06 — — CN disclosed
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