SCHEMBL31156589

SCHEMBL31156589

O=S(=O)(Oc1cccc2c(Cl)ccnc12)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSP90AA1 P07900 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
SLC40A1 Q9NP59 2/20 0.39

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
SCHEMBL739704 0.89 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL28512436 0.80 PDE4A (0.43) PDE4APDE4CPDE4DL3MBTL1METAP2
SCHEMBL5372354 0.79 CYP1A2 (0.43) KDM4EMEN1KMT2ACYP3A4GAA
SCHEMBL4818198 0.77 METAP2 (0.42) KDM4EMEN1KMT2AALDH1A1PDE4A
SCHEMBL249779 0.77 METAP2 (0.64) KDM4EMEN1KMT2APDE4APDE4C
SCHEMBL2379509 0.76 SLC40A1 (0.40) KDM4EPDE4APDE4CPDE4DCYP3A4
SCHEMBL737308 0.76 SLC40A1 (0.48) KDM4EKMT2AALDH1A1TDP1PDE4A
SCHEMBL15125330 0.76 DRD2 (0.35) MEN1KMT2APDE4APDE4CPDE4D
SCHEMBL29751503 0.75 AR (0.40) KDM4EPDE4APDE4CPDE4DL3MBTL1
SCHEMBL27711752 0.75 SLC40A1 (0.47) KDM4EMEN1KMT2AALDH1A1TDP1

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
WO-2024206284-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-10-03 WO disclosed