SCHEMBL17675367

SCHEMBL17675367

CC(C)(C)c1cc(NC(=O)c2ccc(O)cc2)no1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
FLT3 P36888 7/20 0.63
LMNA P02545 2/20 0.62
MAPT P10636 1/20 0.62
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
PKM P14618 1/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.56
RAF1 P04049 1/20 0.55
EGFR P00533 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
DEGS1 O15121 1/20 0.52
MAPK14 Q16539 1/20 0.52

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
SCHEMBL23657475 0.88 SMN1; SMN2 (0.64) SMN1; SMN2FLT3LMNAMAPTNPC1
SCHEMBL11105052 0.87 FLT3 (0.78) SMN1; SMN2FLT3LMNAMAPTNPC1
SCHEMBL15426982 0.83 NPC1 (0.70) SMN1; SMN2FLT3LMNAMAPTNPC1
SCHEMBL2943933 0.81 MAPK14 (0.78) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL15427119 0.81 FLT3 (0.80) SMN1; SMN2FLT3LMNAMAPTNPC1
SCHEMBL4480256 0.80 SMN1; SMN2 (0.57) SMN1; SMN2FLT3LMNAMAPTNPC1
SCHEMBL590144 0.80 SMN1; SMN2 (0.57) SMN1; SMN2FLT3LMNAMAPTNPC1
SCHEMBL13234696 0.79 FLT3 (0.80) FLT3MAPTNPC1RAB9AHTT
SCHEMBL13234840 0.79 FLT3 (0.80) FLT3MAPTNPC1RAB9AHTT
SCHEMBL13200780 0.79 FLT3 (0.63) SMN1; SMN2FLT3NPC1RAB9APKM

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-2016055982-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS ACERTA PHARMA B.V. (NL) 2016-04-14 WO disclosed