SCHEMBL5164597

SCHEMBL5164597

Cn1c(=O)cc(C(F)(F)F)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
YTHDF2 Q9Y5A9 1/20 0.50
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.47
BCAT1 P54687 6/20 0.46
BCAT2 O15382 4/20 0.46
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BRCA1 P38398 1/20 0.39
NOTUM Q6P988 1/20 0.38
HTT P42858 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL24961532 0.77 KDM4E (0.50) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KDM4E
SCHEMBL6589202 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KDM4E
SCHEMBL11782896 0.74 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KDM4E
SCHEMBL10281144 0.72 YTHDF2 (0.50) ALDH1A1SMN1; SMN2YTHDF2KDM4ELMNA
Hydrochloric Acid SCHEMBL31588102 0.72 LMNA (0.39) ALDH1A1SMN1; SMN2CYP2C9CYP2C19YTHDF2
SCHEMBL758498 0.71 RAD51 (0.46) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL30517206 0.71 KMT2A (0.50) ALDH1A1SMN1; SMN2YTHDF2LMNAGAA
SCHEMBL11781513 0.71 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KDM4E
SCHEMBL24171772 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KDM4E
SCHEMBL23415041 0.71 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658551-B1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES REDAG CROP PROT LTD (GB) 2022-01-19 EP disclosed
WO-2021143677-A1 FUSED RING SUBSTITUTED AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION, AND USE THEREOF 青岛清原化合物有限公司 2021-07-22 WO disclosed
WO-2021139482-A1 CARBOXYLIC ACID DERIVATIVE-SUBSTITUTED IMINO ARYL COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2021-07-15 WO disclosed
WO-2019020987-A1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES REDAG CROP PROTECTION LTD. (GB) 2019-01-31 WO disclosed
EP-1692115-B1 METHOD FOR PRODUCING 3-PHENYL(THIO)URACILS AND 3-PHENYLDITHIOURACILS BASF AG (DE) 2007-12-19 EP disclosed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1237878-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-11 EP disclosed
US-6380387-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS HOFFMANN-LA ROCHE INC. 2002-04-30 US disclosed
WO-2001042225-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 WO disclosed
US-5391541-A Herbicidal 3-(substituted-benzyl)-1-methyl-6-trifluoromethyluracils FMC CORPORATION (US) 1995-02-21 US disclosed
EP-0255047-A1 3-Aryl uraciles and their use as herbicides CIBA-GEIGY AG (CH) 1988-02-03 EP disclosed