SCHEMBL29001094

SCHEMBL29001094

c1cc2ccc3ncsc3c2o1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
DYRK1A Q13627 1/20 0.30

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
SCHEMBL2722669 0.72 ALDH1A1 (0.46) ALDH1A1HSD17B10DYRK1A
SCHEMBL21730010 0.69 DYRK1A (0.39) ALDH1A1HSD17B10DYRK1A
SCHEMBL21730024 0.69 MAPT (0.45) ALDH1A1HSD17B10
SCHEMBL4424092 0.68 MAOA (0.35) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL29852810 0.68 MAOA (0.35) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL29591293 0.67 MAOA (0.46) MAOAMAOBHSD17B10HTR2AHTR2C
SCHEMBL4419988 0.67 MAOA (0.46) MAOAMAOBHSD17B10HTR2AHTR2C
SCHEMBL38650866 0.67 AXL (0.38) ALDH1A1HSD17B10HTR2CDYRK1A
SCHEMBL7096111 0.67 MAOA (0.34) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL19725731 0.67 AXL (0.38) ALDH1A1HSD17B10HTR2CDYRK1A

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-116134062-A Melamine-based compounds and uses thereof 生物围栏有限公司 2023-05-16 CN disclosed