SCHEMBL31311202

SCHEMBL31311202

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.43
TRPV4 Q9HBA0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
LCK P06239 9/20 0.39
CYP17A1 P05093 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
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
GSK3B P49841 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL31311348 0.91 MPL (0.42) BRAFTRPV4ALDH1A1PKMLCK
SCHEMBL31311213 0.84 LCK (0.45) BRAFALDH1A1PKMLCKCYP17A1
SCHEMBL31311393 0.83 PLTP (0.46) BRAFALDH1A1PKMLCKCYP17A1
SCHEMBL31311252 0.82 BRAF (0.41) BRAFALDH1A1PKMLCKCYP17A1
SCHEMBL31311359 0.78 BRAF (0.39) BRAFALDH1A1PKMLCKCYP17A1
SCHEMBL31311238 0.77 PLTP (0.51) ALDH1A1LCKCYP17A1
SCHEMBL31311376 0.76 ADORA2A (0.52) ALDH1A1PKMLCKCYP17A1MEN1
SCHEMBL31311339 0.75 PLTP (0.44) BRAFALDH1A1PKMLCK
SCHEMBL31311210 0.74 LCK (0.45) BRAFALDH1A1PKMLCKCA1
SCHEMBL31311281 0.73 MEN1 (0.58) ALDH1A1MEN1NPC1RAB9AKMT2A

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