SCHEMBL11405461

SCHEMBL11405461

CNc1coc2ccccc2c1=S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 10/20 0.39
CA2 P00918 1/20 0.38
IDO1 P14902 1/20 0.36
MAOA P21397 2/20 0.36
PTPN1 P18031 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL21402593 0.84 PTGS2 (0.44) PTGS2MAPTALDH1A1KDM4EMAOB
SCHEMBL11397944 0.76 MAOB (0.45) MAPTALDH1A1KDM4EMAOBMAOA
SCHEMBL11393224 0.75 MAOB (0.44) ALDH1A1MAOBMAOAHTT
SCHEMBL11397518 0.72 KEAP1 (0.58) MAPTALDH1A1USP2POLBTDP1
SCHEMBL11390185 0.72 ABCC1 (0.44) POLBHSD17B10MAOB
SCHEMBL29196058 0.71 MAOB (0.42) PTGS2ALDH1A1KDM4EMAOBCA2
SCHEMBL8786731 0.71 MAOB (0.39) MAPTALDH1A1KDM4ERECQLMAOB
SCHEMBL11394269 0.71 MAOB (0.39) MAPTALDH1A1KDM4EHPGDRECQL
SCHEMBL28170952 0.71 MAOB (0.39) PTGS2MAPTALDH1A1KDM4ERECQL
SCHEMBL140188 0.68 IDO1 (0.46) PTGS2MAPTALDH1A1KDM4EHSD17B10

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-4259506-A SELECTIVELY DESTROYING WEEDS IN CROPS PHILAGRO (FR) 1981-03-31 US disclosed