SCHEMBL9569905

SCHEMBL9569905

CSc1ncc(Cl)cc1C(=O)NC(C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.54
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PTGER2 P43116 2/20 0.48
TACR3 P29371 1/20 0.48
GPR139 Q6DWJ6 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL692072 0.77 PTGER4 (0.71) PTGER4KDM4EALDH1A1LMNAHPGD
SCHEMBL691764 0.75 PTGER4 (0.61) PTGER4MAPK1PTGER2GPR139
SCHEMBL9569930 0.74 ADORA2A (0.57) MAPK1KDM4EALDH1A1LMNAHPGD
SCHEMBL691810 0.74 PTGER4 (0.73) PTGER4PTGER2
SCHEMBL691681 0.74 PTGER4 (0.63) PTGER4MAPK1PTGER2GPR139POLB
SCHEMBL692240 0.74 PTGER4 (0.72) PTGER4LMNAPTGER2
SCHEMBL692450 0.74 PTGER4 (0.68) PTGER4PTGER2GPR139MEN1KMT2A
SCHEMBL691840 0.74 PTGER4 (0.75) PTGER4ALDH1A1HPGDPTGER2GPR139
SCHEMBL4532807 0.74 PTGER4 (0.69) PTGER4PTGER2
SCHEMBL17329358 0.74 HPGD (0.68) PTGER4MAPK1KDM4EALDH1A1LMNA

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
EP-0550900-A1 Herbicidal and plant-nematocidal compositions based on mercaptonicotinic acid derivatives BAYER AG (DE) 1993-07-14 EP disclosed