SCHEMBL31339909

SCHEMBL31339909

O=C(O)c1cc2ccc(OC(F)(F)F)cc2[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
RUNX1 Q01196 1/20 0.49
DHODH Q02127 3/20 0.44
EGLN1 Q9GZT9 1/20 0.44
PIM1 P11309 1/20 0.44
KMT2A Q03164 1/20 0.43
KIF11 P52732 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4C Q9H3R0 1/20 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
SCHEMBL31423094 0.88 KDM4E (0.45) KDM4EGAAALDH1A1POLBRUNX1
SCHEMBL30548989 0.86 KDM4E (0.45) KDM4EGAAALDH1A1POLBRUNX1
SCHEMBL31339870 0.84 KDM4E (0.55) KDM4EGAAALDH1A1POLBKMT2A
SCHEMBL31423261 0.83 ALDH1A1 (0.50) KDM4EGAAALDH1A1POLBKMT2A
SCHEMBL31423379 0.82 KDM4E (0.39) KDM4EGAAALDH1A1POLBRUNX1
SCHEMBL29457828 0.81 KDM4E (0.56) KDM4EGAAALDH1A1RUNX1EGLN1
SCHEMBL17310806 0.81 KDM4E (0.56) KDM4EGAAALDH1A1RUNX1EGLN1
SCHEMBL31222326 0.81 KDM4E (0.78) KDM4EGAAALDH1A1POLBKMT2A
SCHEMBL3714878 0.80 KDM4E (0.46) KDM4EGAAALDH1A1KMT2APTGS1
SCHEMBL1367463 0.79 KDM4E (0.56) KDM4EGAAALDH1A1POLBRUNX1

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
WO-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 EP disclosed