SCHEMBL7236303

SCHEMBL7236303

COC(=O)c1ccc(OC)c(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.48
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
NOTUM Q6P988 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.40
PDE4A P27815 1/20 0.40

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
SCHEMBL7225755 0.88 KDM4E (0.45) CTSAKDM4EL3MBTL1MAPK1NPC1
SCHEMBL1759891 0.84 KDM4E (0.66) CTSAKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL29375401 0.84 KDM4E (0.66) CTSAKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL73021 0.84 KDM4E (0.47) CTSAKDM4EL3MBTL1MAPK1RAB9A
SCHEMBL1615811 0.84 NPC1 (0.46) KDM4EL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL2811357 0.83 CYP1A2 (0.44) CTSAKDM4EL3MBTL1MAPK1MRGPRX4
SCHEMBL31620653 0.83 GRM5 (0.49) CTSAMAPK1MRGPRX4SMN1; SMN2CYP1A2
SCHEMBL16742565 0.82 MRGPRX4 (0.44) CTSAMAPK1MRGPRX4
Hydrochloric Acid SCHEMBL7225758 0.82 KDM4E (0.64) CTSAKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL17144343 0.81 NOTUM (0.46) MAPK1MRGPRX4NOTUMGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610853-B1 N-(phenylsulfonyl)picolinamide derivatives, process for producing the same, and herbicide KUREHA KAGAKU KOGYO K.K. (JP) 2003-08-26 US disclosed
EP-1069112-A1 N-(PHENYLSULFONYL) PICOLINAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-01-17 EP disclosed