SCHEMBL29174337

SCHEMBL29174337

CCOC(=O)COc1ncccc1Oc1cc(-n2c(=O)cc(C(C)(F)F)n(C)c2=O)c(F)cc1N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.33
BCAT1 P54687 1/20 0.32
SSTR4 P31391 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
P2RX3 P56373 1/20 0.30
SSTR1 P30872 1/20 0.30

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
SCHEMBL6635615 0.95 BCAT1 (0.34) PPOXBCAT1MEN1KMT2ASMN1; SMN2
SCHEMBL31075140 0.91 PPOX (0.33) PPOXBCAT1SSTR4KDM4EGLA
SCHEMBL22356182 0.91 PPOX (0.41) PPOXBCAT1SSTR4MEN1KMT2A
SCHEMBL31075145 0.91 PPOX (0.41) PPOXBCAT1SSTR4MEN1KMT2A
SCHEMBL31143336 0.88 MAPT (0.34) PPOXBCAT1MEN1KMT2ASMN1; SMN2
SCHEMBL29174335 0.88 MAPT (0.34) PPOXBCAT1MEN1KMT2ASMN1; SMN2
SCHEMBL3243419 0.87 BCAT1 (0.33) BCAT1SSTR4SSTR1
SCHEMBL21307578 0.87 BCAT1 (0.42) PPOXBCAT1KMT2AKDM4EGLA
SCHEMBL24492326 0.86 PPOX (0.41) PPOXBCAT1SSTR4MEN1KMT2A
SCHEMBL24495933 0.86 BCAT1 (0.34) PPOXBCAT1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117751102-A Herbicidal phenyluracils 巴斯夫欧洲公司 2024-03-22 CN disclosed