SCHEMBL3885508

SCHEMBL3885508

Cc1oncc1C(=O)NOc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 2/20 0.55
GMNN O75496 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTR1A P08908 1/20 0.55
THRB P10828 1/20 0.55
PIM1 P11309 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAOA P21397 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2A P28223 1/20 0.55
AGTR1 P30556 1/20 0.55
CCKBR P32239 1/20 0.55
MC4R P32245 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL3879782 0.85 DHODH (0.67) RAB9ANPC1SMN1; SMN2NPSR1LMNA
SCHEMBL3673039 0.80 RAB9A (0.73) RAB9ANPC1SMN1; SMN2NPSR1LMNA
SCHEMBL3882170 0.79 RXFP1 (0.52) SMN1; SMN2LMNAHTTKDM4ERXFP1
SCHEMBL14396382 0.78 DHODH (0.59) RAB9ANPC1SMN1; SMN2NPSR1LMNA
SCHEMBL11666431 0.77 RAB9A (0.52) RAB9ANPC1SMN1; SMN2NPSR1LMNA
SCHEMBL11666432 0.75 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2NPSR1LMNA
SCHEMBL3881232 0.73 RAB9A (0.62) RAB9ANPC1SMN1; SMN2NPSR1LMNA
SCHEMBL19376825 0.71 RAB9A (0.59) RAB9ANPC1SMN1; SMN2NPSR1LMNA
SCHEMBL19376876 0.71 RAF1 (0.61) RAB9ANPC1SMN1; SMN2NPSR1LMNA
Leflunomide SCHEMBL1243495 0.71 RAB9A (1.00) RAB9ANPC1SMN1; SMN2NPSR1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010507-A2 NOVEL ISOOXAZOLE DERIVATIVES AND THEIR USES ScheBo Biotech Aktiengesellschaft (DE) 2009-01-07 EP claimed
WO-2007110068-A2 NOVEL ISOOXAZOLE DERIVATIVES AND THEIR USES SCHEBO BIOTECH AG (DE) 2007-10-04 WO claimed
EP-2010507-A2 NOVEL ISOOXAZOLE DERIVATIVES AND THEIR USES ScheBo Biotech Aktiengesellschaft (DE) 2009-01-07 EP disclosed
WO-2007110068-A2 NOVEL ISOOXAZOLE DERIVATIVES AND THEIR USES SCHEBO BIOTECH AG (DE) 2007-10-04 WO disclosed