SCHEMBL26612907

SCHEMBL26612907

NC(=O)c1cccc(-c2ccc(O)cc2)c1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.42
CHEK1 O14757 1/20 0.41
PIM1 P11309 3/20 0.41
PIM2 Q9P1W9 3/20 0.41
ABL1 P00519 2/20 0.41
XDH P47989 1/20 0.40
DYRK1A Q13627 1/20 0.40
SERPINE1 P05121 1/20 0.39
BCAT2 O15382 1/20 0.39
P2RX1 P51575 1/20 0.39
PDK2 Q15119 1/20 0.39
CSNK1E P49674 1/20 0.39
SCN9A Q15858 1/20 0.39
SLC13A5 Q86YT5 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
SCHEMBL5498010 0.81 BCAT2 (0.54) DHODHCHEK1XDHDYRK1ABCAT2
SCHEMBL16193974 0.80 IGF2BP2 (0.44) CHEK1ABL1BCAT2PDK2SCN9A
SCHEMBL2114962 0.79 BCAT2 (0.52) ABL1BCAT2PDK2
SCHEMBL5379608 0.76 ESR1 (0.55) DHODHPIM1PIM2ABL1XDH
SCHEMBL16193827 0.76 ESR2 (0.42) ABL1BCAT2PDK2
SCHEMBL16194153 0.74 FFAR4 (0.39) CHEK1ABL1PDK2SCN9A
SCHEMBL2562027 0.74 BCAT2 (0.59) CHEK1ABL1SERPINE1BCAT2SCN9A
SCHEMBL14813212 0.72 CHEK1 (0.49) CHEK1ABL1SERPINE1BCAT2SCN9A
SCHEMBL6174664 0.72 KCNA5 (0.49) DHODHDYRK1ACSNK1E
SCHEMBL4517767 0.71 BCAT2 (0.51) CHEK1PIM1ABL1BCAT2SCN9A

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
EP-3782616-B1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES UNIV CALIFORNIA (US) 2023-11-01 EP disclosed