SCHEMBL16618549

SCHEMBL16618549

CO[C](F)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
AKR1B1 P15121 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.42
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CNR2 P34972 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
USP2 O75604 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
SCHEMBL2154441 0.76 CES1 (0.48) ALDH1A1LMNAKDM4ECES1CES2
SCHEMBL6295378 0.76 CES2 (0.48) ALDH1A1LMNAKDM4ECES1CES2
SCHEMBL2700591 0.74 CES2 (0.46) ALDH1A1LMNAKDM4ECES1CES2
Benzene SCHEMBL28096336 0.73 ALDH1A1 (0.62) ALDH1A1LMNAKDM4ECES1CES2
SCHEMBL1870609 0.73 ALDH1A1 (0.62) ALDH1A1LMNAKDM4ECES1CES2
SCHEMBL11197630 0.73 ALDH1A1 (0.44) ALDH1A1LMNAKDM4ECES1CES2
SCHEMBL7324968 0.73 ALDH1A1 (0.45) ALDH1A1LMNAKDM4ECES1CES2
SCHEMBL6299815 0.73 ALDH1A1 (0.44) ALDH1A1LMNAKDM4ECES1CES2
SCHEMBL13176469 0.73 ALDH1A1 (0.44) ALDH1A1LMNAKDM4ECES1CES2
SCHEMBL1264055 0.73 CES2 (0.50) ALDH1A1LMNAKDM4ECES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3051946-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2016-08-10 EP claimed
WO-2015049351-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AG (DE) 2015-04-09 WO claimed
EP-3051946-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2016-08-10 EP disclosed
WO-2015049351-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AG (DE) 2015-04-09 WO disclosed