SCHEMBL28646189

SCHEMBL28646189

Nc1ccc(NC(=O)NS)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 14/20 0.46
NAMPT P43490 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43

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
SCHEMBL25066095 0.82 CDK8 (0.46) CDK8NAMPTHDAC1HDAC6GABRP
SCHEMBL1691584 0.79 GABRP (0.52) CDK8NAMPTHDAC1HDAC6GABRP
SCHEMBL2446207 0.79 ALDH1A1 (0.53) CDK8HDAC1HDAC6GABRPGABRD
SCHEMBL2446202 0.78 HDAC1 (0.46) CDK8NAMPTHDAC1HDAC6GABRP
SCHEMBL29403604 0.78 SMN1; SMN2 (0.50) CDK8HDAC1HDAC6GABRPGABRD
SCHEMBL2081651 0.78 SMN1; SMN2 (0.50) CDK8HDAC1HDAC6GABRPGABRD
SCHEMBL7930570 0.77 HDAC1 (0.48) HDAC1HDAC6GABRPGABRDGABRA1
SCHEMBL18291750 0.76 GABRP (0.48) CDK8NAMPTHDAC1HDAC6GABRP
SCHEMBL27663662 0.75 SMN1; SMN2 (0.52) CDK8HDAC1HDAC6GABRPGABRD
SCHEMBL23845461 0.74 SMN1; SMN2 (0.55) SMN1; SMN2MAPTRAB9A

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-115737913-A Controllable release H 2 S heart patch and preparation method and application thereof 东莞市人民医院 2023-03-07 CN claimed
CN-115737913-A Controllable release H 2 S heart patch and preparation method and application thereof 东莞市人民医院 2023-03-07 CN disclosed
CN-109666151-B Injectable hydrogel capable of releasing hydrogen sulfide and preparation method thereof 天津大学 2021-05-14 CN disclosed
CN-109666151-B Injectable hydrogel capable of releasing hydrogen sulfide and preparation method thereof 天津大学 2021-05-14 CN disclosed