SCHEMBL27936635

SCHEMBL27936635

O=C(O)Cc1ncccc1CSCc1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.45
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
POLQ O75417 1/20 0.41
LMNA P02545 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
PTGS2 P35354 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NR3C2 P08235 1/20 0.37
MAOB P27338 2/20 0.37
AR P10275 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL9957114 0.82 KDM4E (0.50) RBP4KDM4ECYP1A2MAPTPOLQ
SCHEMBL4538802 0.80 TRPV1 (0.45) RBP4KDM4ECYP1A2MAPTPOLQ
SCHEMBL17260922 0.80 CTNNB1 (0.44) RBP4LMNACTNNB1WNT3AHDAC3
SCHEMBL17260913 0.77 L3MBTL1 (0.48) RBP4KDM4ELMNACTNNB1WNT3A
Hydrogen Sulfide SCHEMBL17260905 0.76 L3MBTL1 (0.47) RBP4KDM4ELMNACTNNB1WNT3A
SCHEMBL9957265 0.75 L3MBTL1 (0.46) RBP4KDM4ELMNACTNNB1WNT3A
Methyl Alcohol SCHEMBL8011354 0.74 POLQ (0.62) KDM4EPOLQPTGS2AKR1B1HDAC1
SCHEMBL187791 0.74 POLQ (0.61) RBP4KDM4EPOLQPTGS2AKR1B1
SCHEMBL29718585 0.74 POLQ (0.61) RBP4KDM4EPOLQPTGS2AKR1B1
SCHEMBL11147053 0.74 KDM4E (0.65) KDM4ECYP1A2MAPTLMNAAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103313991-B There is the substituted pyridines of weeding activity BASF SE (DE) 2016-02-10 CN disclosed
CN-103313991-A Substituted pyridines having herbicidal activity BASF SE 2013-09-18 CN disclosed