SCHEMBL11380717

SCHEMBL11380717

CS(=O)(=O)c1nncn1-c1ccc(O)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.41
ESR2 Q92731 9/20 0.38
ESR1 P03372 8/20 0.38
MELK Q14680 1/20 0.38
MAPT P10636 2/20 0.36
FGFR1 P11362 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL11375905 0.81 ALDH1A1 (0.48) MAPTKMT2APTGS2ALDH1A1PKM
SCHEMBL12362850 0.73 ENPP2 (0.41) ENPP2ESR2ESR1MELKFGFR1
SCHEMBL11380491 0.73 MAPT (0.41) ENPP2ESR2ESR1MAPTFGFR1
SCHEMBL27348659 0.71 LMNA (0.56) ENPP2MAPTKMT2APTGS2ALDH1A1
SCHEMBL11375286 0.69 ESR1 (0.41) ENPP2ESR2ESR1MAPTFGFR1
SCHEMBL1047014 0.66 GAA (0.36) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11072010 0.66 ALDH1A1 (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11973622 0.63 MAPK1 (0.35) MAPTMEN1KMT2AKDM4EALDH1A1
Hydroquinone SCHEMBL28903112 0.61 ENPP2 (0.65) ENPP2ESR2ESR1MAPTMEN1
Hydroquinone SCHEMBL575590 0.61 ENPP2 (0.65) ENPP2ESR2ESR1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4268680-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1981-05-19 US disclosed
US-4244964-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1981-01-13 US disclosed
US-4232034-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-11-04 US disclosed
US-4229581-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-10-21 US disclosed
US-4229460-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-10-21 US disclosed
US-4160841-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1979-07-10 US disclosed