SCHEMBL31311252

SCHEMBL31311252

CC(C)(C)OC(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C(O)C2CC2)s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.41
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
LCK P06239 8/20 0.36
CYP17A1 P05093 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MMP13 P45452 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL31311342 0.92 MPL (0.40) BRAFALDH1A1PKMLCK
SCHEMBL31311202 0.82 BRAF (0.43) BRAFALDH1A1PKMMEN1NPC1
SCHEMBL31311213 0.80 LCK (0.45) BRAFALDH1A1PKMLCKCYP17A1
SCHEMBL31311393 0.80 PLTP (0.46) BRAFALDH1A1PKMMEN1NPC1
SCHEMBL31311359 0.75 BRAF (0.39) BRAFALDH1A1PKMLCKCYP17A1
SCHEMBL31311238 0.74 PLTP (0.51) ALDH1A1LCKCYP17A1
SCHEMBL31311348 0.74 MPL (0.42) BRAFALDH1A1PKMLCK
SCHEMBL27647679 0.74 POLB (0.46) ALDH1A1PKMMEN1NPC1RAB9A
SCHEMBL31311376 0.73 ADORA2A (0.52) ALDH1A1PKMMEN1RAB9AKMT2A
SCHEMBL31311210 0.72 LCK (0.45) BRAFALDH1A1PKMLCKCA1

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