SCHEMBL7533479

SCHEMBL7533479

NCc1cccnc1S(=O)(=O)CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
KMT2A Q03164 1/20 0.35
NFE2L2 Q16236 3/20 0.33
CCR9 P51686 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
HTR6 P50406 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
AKR1B1 P15121 1/20 0.30
MAOB P27338 2/20 0.30
MAOA P21397 1/20 0.30
LOX P28300 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
SCHEMBL4793133 0.86 KMT2A (0.39) DPP4KMT2ACCR9LOXL2MMP2
SCHEMBL7423716 0.81 DPP4 (0.37) DPP4KMT2ANFE2L2CCR9HSP90AA1
SCHEMBL7418680 0.80 KMT2A (0.41) DPP4KMT2ANFE2L2CCR9LOXL2
SCHEMBL17372075 0.76 DPP4 (0.41) DPP4KMT2ALOXL2MAOBMAOA
SCHEMBL7416794 0.76 LOXL2 (0.42) DPP4KMT2ACCR9LOXL2
SCHEMBL7416470 0.75 KMT2A (0.42) DPP4KMT2ANFE2L2CCR9LOXL2
SCHEMBL7417140 0.73 FEN1 (0.43) DPP4KMT2ALOXL2
Hydrochloric Acid SCHEMBL7365840 0.72 CA2 (0.36) DPP4KMT2ALOXL2MAOB
SCHEMBL7533483 0.72 DPP4 (0.36) DPP4KMT2ANFE2L2HSP90AA1HSP90AB1
SCHEMBL7473666 0.71 TXNRD1 (0.44)

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-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP claimed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 WO claimed
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP disclosed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 WO disclosed