SCHEMBL1758499

SCHEMBL1758499

Cn1ncc(OCc2ccccc2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK14 Q16539 2/20 0.46
PTGER1 P34995 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
EDNRA P25101 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
BRD4 O60885 1/20 0.44
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
ALKBH1 Q13686 1/20 0.44
FOLH1 Q04609 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL21248383 0.88 CYP1A2 (0.44) PKMTDP1P4HTMSRD5A1SRD5A2
SCHEMBL1758500 0.80 MAPK14 (0.44) PKMMAPTMAPK1TDP1L3MBTL1
SCHEMBL21265239 0.79 MAPK14 (0.43) MAPTMAPK1TDP1L3MBTL1MAPK14
SCHEMBL21232987 0.78 L3MBTL1 (0.51) PKMMAPTMAPK1TDP1L3MBTL1
SCHEMBL21248366 0.78 CYP1A2 (0.42) PKMTDP1MAPK14HTR2AHTR2C
SCHEMBL31539866 0.77 EDNRA (0.49) PKMMAPTMAPK1TDP1L3MBTL1
SCHEMBL22445443 0.77 LIPE (0.54) PKMMAPTMAPK1TDP1L3MBTL1
SCHEMBL5883689 0.77 ALKBH1 (0.51) PKMPTGER1P4HTMSRD5A2ALKBH1
SCHEMBL31719630 0.76 ALDH1A1 (0.43) MAPK1TDP1L3MBTL1ALKBH1
SCHEMBL22952627 0.75 MAPK14 (0.44) PKMMAPTMAPK1TDP1L3MBTL1

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-2011051212-A1 USE OF HETEROAROMATIC COMPOUNDS AS HERBICIDES BASF SE (DE) 2011-05-05 WO disclosed