SCHEMBL8404546

SCHEMBL8404546

Cc1cc2cc(F)c(Br)cc2cc1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 1/20 0.37
AGTR1 P30556 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
PTGS2 P35354 2/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
CCR2 P41597 1/20 0.30

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
SCHEMBL8404540 1.00 L3MBTL1 (0.37) L3MBTL1KDM1AKDM1BAGTR1ALDH1A1
SCHEMBL8404745 0.87 L3MBTL1 (0.42) L3MBTL1ALDH1A1PTGS2CCR2
SCHEMBL8404554 0.87 L3MBTL1 (0.42) L3MBTL1ALDH1A1POLBLMNATSHR
SCHEMBL8408242 0.86 KDM1A (0.40) KDM1AKDM1BALDH1A1PTGS2LMNA
SCHEMBL8404542 0.86 KDM1A (0.40) KDM1AKDM1BALDH1A1PTGS2LMNA
SCHEMBL2597082 0.85 L3MBTL1 (0.41) L3MBTL1KDM1AKDM1BAGTR1ALDH1A1
SCHEMBL8404747 0.79 PTGS2 (0.37) L3MBTL1AGTR1ALDH1A1PTGS2CCR2
SCHEMBL8404543 0.79 L3MBTL1 (0.37) L3MBTL1ALDH1A1POLBLMNATSHR
SCHEMBL8404549 0.79 L3MBTL1 (0.37) L3MBTL1ALDH1A1POLBLMNATSHR
SCHEMBL8404545 0.79 PTGS2 (0.37) L3MBTL1AGTR1ALDH1A1PTGS2CCR2

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-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed