SCHEMBL31332728

SCHEMBL31332728

COC(C)(CNC(=O)NCc1cccc(C)c1)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
FBP1 P09467 1/20 0.41
APEX1 P27695 1/20 0.41
MMP13 P45452 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
ROCK2 O75116 1/20 0.40
CNR1 P21554 1/20 0.40
OPRM1 P35372 1/20 0.40
SLC2A1 P11166 1/20 0.40
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL31332767 0.88 OPRM1 (0.50) IDH1NPC1RAB9AAPEX1GAA
SCHEMBL31332776 0.83 ALDH1A1 (0.51) NPC1RAB9APOLBCNR1ALDH1A1
SCHEMBL31332632 0.80 LMNA (0.50) NPC1RAB9AGAAPOLBKDM4E
SCHEMBL31332742 0.80 EPHX2 (0.49) RAB9AGAAPOLBEPHX2KDM4E
SCHEMBL31332754 0.80 KMT2A (0.56) NPC1RAB9APOLBCNR1EPHX2
SCHEMBL31332818 0.79 EPHX1 (0.50) EPHX2
SCHEMBL31332799 0.78 POLB (0.53) NPC1RAB9AFBP1GAAPOLB
SCHEMBL31332636 0.77 FPR2 (0.52) NPC1RAB9APOLBCNR1ALDH1A1
SCHEMBL31332634 0.76 EPHX1 (0.54) NPC1FBP1GAAPOLBEPHX2
SCHEMBL31332705 0.76 EPHX1 (0.54) NPC1FBP1GAAPOLBEPHX2

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-4709708-A1 NOVEL CARBOXAMIDE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2026-03-18 EP disclosed
WO-2024233603-A1 NOVEL CARBOXAMIDE DERIVATIVES ICAGEN, LLC (US) 2024-11-14 WO disclosed