SCHEMBL9174010

SCHEMBL9174010

O=C(O)c1cccnc1C(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.50
RUNX1 Q01196 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
BLM P54132 1/20 0.48
AGER Q15109 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LTC4S Q16873 1/20 0.47
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7364528 0.83 HTT (0.56) DHODHALDH1A1KDM4ECYP3A4MAPT
SCHEMBL9172338 0.82 DHODH (0.53) DHODHLTC4SKDM5AKDM4CKDM5B
SCHEMBL9229632 0.81 POLB (0.55) DHODHALDH1A1LTC4SMRGPRX4KAT6A
SCHEMBL7368545 0.81 ALDH1A1 (0.63) DHODHALDH1A1KDM4ECYP3A4MAPT
SCHEMBL7366436 0.78 KDM4E (0.51) DHODHALDH1A1KDM4ECYP3A4MAPT
SCHEMBL9229219 0.78 KAT6A (0.48) DHODHLTC4SKDM5AKDM4CKDM5B
SCHEMBL690501 0.78 KAT6A (0.54) L3MBTL1MRGPRX4KAT6A
SCHEMBL9226099 0.78 LTC4S (0.56) DHODHLTC4SKDM5AKDM4CKDM5B
SCHEMBL7372993 0.77 TDP1 (0.52) DHODHRUNX1ALDH1A1KDM4ENPSR1
SCHEMBL30668192 0.76 KAT6A (0.57) ALDH1A1L3MBTL1MRGPRX4KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393730-A Preemergence, postemergence herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1995-02-28 US claimed
EP-0606843-A1 Nicotinic acid derivative RHONE POULENC AGRICULTURE LTD. (GB) 1994-07-20 EP claimed
US-5405826-A Herbicidal pyridopyridazinones and pyridopyridazinethiones RHONE POULENC AGRICULTURE LIMITED (GB) 1995-04-11 US disclosed
US-5393730-A Preemergence, postemergence herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1995-02-28 US disclosed
EP-0606843-A1 Nicotinic acid derivative RHONE POULENC AGRICULTURE LTD. (GB) 1994-07-20 EP disclosed
EP-0555957-A1 Pyrido 2,3-d pyridazine derivatives as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-08-18 EP disclosed