SCHEMBL22018300

SCHEMBL22018300

CC(C)(C)NC(=O)c1cc[n+](CCS(=O)(=O)O)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
HPGDS O60760 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GABRA5 P31644 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
PRKAA1 Q13131 2/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 1/20 0.30
PRKAB1 Q9Y478 1/20 0.30

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
SCHEMBL22018299 0.82 FDPS (0.36) LMNAHPGDSMAPTALDH1A1GABRA5
SCHEMBL22018305 0.75 HPGD (0.34) LMNAMAPTALDH1A1HPGDKDM4E
SCHEMBL22018048 0.74 GABRA5 (0.32) GABRA5
SCHEMBL22017862 0.72 PLK1 (0.35) HTTHPGDSALDH1A1HPGD
SCHEMBL22018290 0.72 CA12 (0.41) LMNAHPGDSMAPTALDH1A1HPGD
SCHEMBL22018051 0.72 KMT2A (0.44) HTTPOLBL3MBTL1HPGDKDM4E
SCHEMBL22017888 0.71 NPC1 (0.38) POLBGABRA5
SCHEMBL22336177 0.71 EGLN2 (0.37) POLBGABRA5
SCHEMBL22018296 0.70 ALDH1A1 (0.30) ALDH1A1HPGD
SCHEMBL22018040 0.70 KDM4E (0.48) POLBALDH1A1L3MBTL1HPGDKDM4E

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-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed