SCHEMBL10948823

SCHEMBL10948823

O=c1sc2ccccc2c(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
ALOX15 P16050 1/20 0.52
GPR3 P46089 1/20 0.48
MAPT P10636 7/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 3/20 0.46
NPC1 O15118 3/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CASP1 P29466 1/20 0.46
MAOB P27338 5/20 0.45
POLB P06746 3/20 0.44
MAOA P21397 2/20 0.43
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42

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
SCHEMBL13943720 0.82 MAPT (0.51) ALDH1A1ALOX15GPR3MAPTMEN1
SCHEMBL2233877 0.79 ALDH1A1 (0.44) ALDH1A1ALOX15GPR3MAPTMEN1
SCHEMBL2233882 0.79 PADI4 (0.53) ALDH1A1ALOX15GPR3MAPTMEN1
SCHEMBL2294425 0.77 LIMK1 (0.53) ALDH1A1ALOX15GPR3MAPTMEN1
SCHEMBL14139042 0.75 KDM4E (0.44) ALDH1A1ALOX15GPR3MAPTMEN1
SCHEMBL6503590 0.75 GPR3 (0.55) ALDH1A1ALOX15GPR3MAPTMEN1
SCHEMBL2469312 0.74 LMNA (0.60) ALDH1A1ALOX15MAPTMEN1KMT2A
SCHEMBL28540289 0.71 GPR3 (0.50) ALDH1A1ALOX15GPR3MAPTMEN1
SCHEMBL28479943 0.71 MAPT (0.52) ALDH1A1ALOX15GPR3MAPTMEN1
SCHEMBL6829987 0.71 MAPT (0.52) ALDH1A1ALOX15GPR3MAPTMEN1

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-4496679-A USING UNSATURATED ALCOHOL, AMINE, OR MERCAPTAN BASF AKTIENGESELLSCHAFT (DE) 1985-01-29 US disclosed