SCHEMBL31311367

SCHEMBL31311367

CC(C)(C)OC(=O)Nc1nc(-c2ccc(F)c(Cl)c2)c(Cc2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLTP P55058 4/20 0.48
RORC P51449 1/20 0.43
DGAT1 O75907 1/20 0.42
LCK P06239 4/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
ABL1 P00519 1/20 0.39
GLS O94925 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
SCHEMBL31311238 0.92 PLTP (0.51) PLTPRORCDGAT1LCKPTGDR2
SCHEMBL31311335 0.85 ALDH1A1 (0.48) LCKMAPTSMN1; SMN2ABL1
SCHEMBL31311339 0.83 PLTP (0.44) PLTPLCKABL1
SCHEMBL31311210 0.82 LCK (0.45) LCKABL1
SCHEMBL31311187 0.80 LCK (0.48) LCKMAPTSMN1; SMN2ABL1
SCHEMBL31311348 0.78 MPL (0.42) RORCLCKMAPTSMN1; SMN2ABL1
SCHEMBL28889073 0.76 GCK (0.46) RORCLCKABL1
SCHEMBL2316445 0.76 RORC (0.51) PLTPRORCDGAT1MAPTSMN1; SMN2
SCHEMBL31311393 0.74 PLTP (0.46) PLTPRORCLCKPTGDR2
SCHEMBL31311372 0.73 ADORA2A (0.50) PLTPPTGDR2TP53MAPTSMN1; SMN2

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
EP-4731206-A2 COMPOSITIONS AND METHODS OF USE TO TREAT 12-LIPOXYGENASE (12-LOX) MEDIATED DISEASES Veralox Therapeutics Inc. (US) 2026-04-29 EP disclosed
WO-2024264032-A2 COMPOSITIONS AND METHODS OF USE TO TREAT 12-LIPOXYGENASE (12-LOX) MEDIATED DISEASES VERALOX THERAPEUTICS INC. (US) 2024-12-26 WO disclosed