SCHEMBL29455017

SCHEMBL29455017

CCOC(=O)c1cc(C(F)(F)F)cnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.46
ATF1 P18846 1/20 0.46
NFKB1 P19838 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 1/20 0.45
AGBL2 Q5U5Z8 1/20 0.44

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
SCHEMBL9589081 1.00 L3MBTL1 (0.53) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL25294081 0.85 KDM4E (0.51) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL2493390 0.84 MAPT (0.47) L3MBTL1HPGDMEN1KMT2AKDM4E
SCHEMBL9592679 0.84 MAPT (0.50) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3685180 0.84 L3MBTL1 (0.50) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL9900680 0.84 MAPK1 (0.52) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL26396638 0.82 AGBL2 (0.50) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL29429707 0.82 AGBL2 (0.50) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL2086658 0.81 CASP1 (0.47) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3983100 0.80 ALDH1A1 (0.49) ALDH1A1HPGDMEN1KMT2AKDM4E

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
WO-2023187191-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-10-05 WO disclosed
EP-4208463-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2023-07-12 EP disclosed
WO-2022049141-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-03-10 WO disclosed