SCHEMBL11622006

SCHEMBL11622006

Cc1cn(C(C)(C)C(=O)O)nc1-c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MBNL1 Q9NR56 1/20 0.38
DHODH Q02127 1/20 0.37
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
PDK2 Q15119 1/20 0.36
GRIN2B Q13224 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
F2RL3 Q96RI0 1/20 0.35
MAPT P10636 1/20 0.35
PDE4B Q07343 1/20 0.35
PTGS2 P35354 1/20 0.35
HTR5A P47898 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
KIF11 P52732 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL11620167 0.88 GRIN2B (0.41) MBNL1CSNK1DCSNK1EGRIN2BGPBAR1
SCHEMBL11623223 0.81 KMT2A (0.41) MAPTNPSR1ALDH1A1HPGDHSD17B10
SCHEMBL11620436 0.75 MGLL (0.36) GRIN2BGPBAR1NPSR1
SCHEMBL11621488 0.75 SMN1; SMN2 (0.39) GRIN2BNPSR1ALDH1A1HPGD
SCHEMBL11621603 0.73 RIPK1 (0.40) GRIN2BALDH1A1
SCHEMBL11620820 0.72 CCNC (0.42) MBNL1GRIN2BGPBAR1MAPTHTR5A
SCHEMBL11623862 0.72 GHSR (0.32) GRIN2BNPSR1KIF11ALDH1A1
SCHEMBL11622693 0.72 GPBAR1 (0.40) GPBAR1HSD17B10
SCHEMBL11623100 0.72 TSPO (0.33) GRIN2BNPSR1ALDH1A1
SCHEMBL11622654 0.72 KMT2A (0.40) DHODHGPBAR1MAPTALDH1A1HPGD

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
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 US disclosed