SCHEMBL6240758

SCHEMBL6240758

CC(Oc1cnccn1)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NAMPT P43490 2/20 0.47
GALR3 O60755 1/20 0.47
MAPK1 P28482 1/20 0.47
TRPV1 Q8NER1 5/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41

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
SCHEMBL6079886 0.80 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6240754 0.79 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6207396 0.78 MEN1 (0.47) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL6079669 0.74 HDAC3 (0.43) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6078849 0.72 BRAF (0.48) MEN1KMT2ANR1H4
SCHEMBL11984234 0.69 GAA (0.57) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL7300937 0.68 TRPV1 (0.60) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL7302228 0.68 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTTRPV1
SCHEMBL23352871 0.68 TRPV1 (0.68) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL17698019 0.66 NR1H4 (0.54) SMN1; SMN2TP53MAPTTRPV1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed