SCHEMBL29370451

SCHEMBL29370451

O=C(CNC(=O)c1cccc2ccccc12)NCC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ATM Q13315 1/20 0.51
HDAC8 Q9BY41 2/20 0.50
MMP3 P08254 1/20 0.50
HPGD P15428 3/20 0.49
PLK1 P53350 1/20 0.49
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL15741895 1.00 KMT2A (0.51) KMT2AKDM4EATMHDAC8MMP3
SCHEMBL4966540 0.90 HDAC8 (0.57) KMT2AKDM4EATMHDAC8MMP3
SCHEMBL979438 0.82 KDM4E (0.44) KMT2AKDM4EATMHPGDMEN1
SCHEMBL30593074 0.82 KDM4E (0.44) KMT2AKDM4EATMHPGDMEN1
SCHEMBL15741530 0.80 HPGD (0.56) KMT2AKDM4EHPGDMEN1ALDH1A1
SCHEMBL23536907 0.80 KDM4E (0.51) KMT2AKDM4EATMHPGDMEN1
SCHEMBL3796366 0.80 HDAC8 (0.56) KMT2AHDAC8MMP3HPGDPLK1
SCHEMBL20988371 0.79 KDM4E (0.42) KMT2AKDM4EATMHPGDMEN1
SCHEMBL9830463 0.78 PPARG (0.58) KMT2AKDM4EHDAC8MMP3HPGD
SCHEMBL28196586 0.78 RAB9A (0.39) KMT2AKDM4EATMHPGDMEN1

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
EP-4188094-A1 A PESTICIDALLY ACTIVE MIXTURE COMPRISING PYRAZOLOPYRIDINE ANTHRANILAMIDE COMPOUND, OXIDES OR SALTS THEREOF PI Industries Ltd. (IN) 2023-06-07 EP disclosed
CN-109068655-B Pesticidal active mixtures of tioxazafen 巴斯夫欧洲公司 2022-05-03 CN disclosed
WO-2022023931-A1 A PESTICIDALLY ACTIVE MIXTURE COMPRISING PYRAZOLOPYRIDINE ANTHRANILAMIDE COMPOUND, OXIDES OR SALTS THEREOF PI INDUSTRIES LTD (IN) 2022-02-03 WO disclosed