SCHEMBL11097066

SCHEMBL11097066

CCNC(=O)c1cccc(Oc2cc(Cl)ccc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.54
MRGPRX4 Q96LA9 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
PTGDR Q13258 2/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
SNCA P37840 3/20 0.45
DDR1 Q08345 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL2969396 0.85 L3MBTL1 (0.55) PTGDR2MRGPRX4SMN1; SMN2ALDH1A1NR1H2
SCHEMBL11091976 0.80 MRGPRX4 (0.61) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL11091978 0.79 MRGPRX4 (0.76) MRGPRX4SMN1; SMN2NPC1RAB9ATP53
SCHEMBL11668725 0.78 HDAC8 (0.67) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL4154673 0.78 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1TP53MAPTPOLB
SCHEMBL11096068 0.78 SNCA (0.53) SMN1; SMN2NPC1RAB9ATP53NR1H2
SCHEMBL2964888 0.76 L3MBTL1 (0.53) PTGDR2MRGPRX4SMN1; SMN2NPC1RAB9A
SCHEMBL11442456 0.76 PTGDR2 (0.51) PTGDR2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL47353 0.75 MMP13 (0.66) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL3456293 0.75 L3MBTL1 (0.69) SMN1; SMN2NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435332-A POSTEMERGENCE, PREEMERGENCE HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-03-06 US disclosed
US-4263039-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-04-21 US disclosed
US-4173464-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-11-06 US disclosed