SCHEMBL29140209

SCHEMBL29140209

c1ccc2sc(C3SCCS3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ADRA2A P08913 1/20 0.44
FBP1 P09467 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
DRD2 P14416 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
MC5R P33032 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
OPRK1 P41145 1/20 0.44
CCR2 P41597 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL28708297 0.79 MEN1 (0.56) MEN1KMT2AALDH1A1HSD17B10ADRA2A
SCHEMBL22084261 0.79 MEN1 (0.56) MEN1KMT2AALDH1A1HSD17B10ADRA2A
SCHEMBL9533470 0.77 KMT2A (0.77) MEN1KMT2AALDH1A1HSD17B10DRD2
SCHEMBL5637621 0.74 KMT2A (0.73) MEN1KMT2AALDH1A1HSD17B10DRD2
SCHEMBL1744058 0.74 KMT2A (0.73) MEN1KMT2AALDH1A1HSD17B10DRD2
SCHEMBL24691020 0.73 KMT2A (0.61) MEN1KMT2AALDH1A1HSD17B10ADRA2A
SCHEMBL10217236 0.73 KMT2A (0.71) MEN1KMT2AALDH1A1HSD17B10ADRA2A
SCHEMBL816962 0.73 KMT2A (0.71) MEN1KMT2AALDH1A1HSD17B10DRD2
SCHEMBL19781780 0.73 MEN1 (0.53) MEN1KMT2AALDH1A1HSD17B10ADRA2A
SCHEMBL5946161 0.73 KMT2A (0.53) MEN1KMT2AALDH1A1HSD17B10ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050643-B Water-based long-acting anti-corrosion paint and preparation method thereof 浙江鱼童新材料股份有限公司 2024-03-12 CN disclosed
CN-117050643-A Water-based long-acting anti-corrosion paint and preparation method thereof 浙江鱼童新材料股份有限公司 2023-11-14 CN disclosed