SCHEMBL8501921

SCHEMBL8501921

CN1c2ccccc2Sc2cccc(OC=O)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.51
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 1/20 0.43
NOX1 Q9Y5S8 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
MAPT P10636 6/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7122154 0.81 MAOA (0.58) MAOAALDH1A1MEN1KMT2ANOX1
SCHEMBL8502182 0.75 P2RX4 (0.40) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL2586864 0.73 MAOA (0.64) MAOAALDH1A1MEN1KMT2ANOX1
Formic Acid SCHEMBL8501926 0.72 MAOA (0.76) MAOAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL27460473 0.71 MAOA (0.62) MAOAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL231247 0.71 MAOA (1.00) MAOAALDH1A1MEN1KMT2ANOX1
SCHEMBL29377505 0.71 MAOA (1.00) MAOAALDH1A1MEN1KMT2ANOX1
SCHEMBL8582075 0.69 ALOX5 (0.37) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL6651734 0.69 MAOA (0.58) MAOAALDH1A1MEN1KMT2ANOX1
SCHEMBL9590152 0.69 HDAC6 (0.39) MAOAMEN1KMT2AMAPTLMNA

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
US-5965510-A USING AGENT COMPRISING AN ORGANIC CHEMICAL COMPOUND CONSISTING OF AT LEAST TWO AROMATIC RINGS, OF WHICH AROMATIC RINGS AT LEAST ONE RING IS SUBSTITUTED WITH NITROGEN AND OXYGEN OR SULFUR; WASHING, BLEACHING NOVO NORDISK A/S (DK) 1999-10-12 US disclosed