SCHEMBL22923055

SCHEMBL22923055

CCOC(=O)CCOc1ncccc1Sc1cc(-n2c(=O)cc(C(F)(F)F)n(N)c2=O)c(F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.32
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
P2RX3 P56373 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL22923042 0.93 PPOX (0.35) PPOXKMT2AALDH1A1ATML3MBTL1
SCHEMBL29808545 0.93 PPOX (0.35) PPOXKMT2AALDH1A1ATML3MBTL1
SCHEMBL22923044 0.91 ROCK2 (0.30)
SCHEMBL22923108 0.91 POLB (0.31) ALDH1A1L3MBTL1
SCHEMBL29808640 0.91 POLB (0.31) ALDH1A1L3MBTL1
SCHEMBL22923058 0.89 MAPT (0.31) ALDH1A1
SCHEMBL29808630 0.88 PPOX (0.32) PPOX
SCHEMBL29574671 0.88 PPOX (0.32) PPOX
SCHEMBL22923043 0.87 ALDH1A1 (0.34) PPOXALDH1A1L3MBTL1
SCHEMBL29808375 0.87 ALDH1A1 (0.34) PPOXALDH1A1L3MBTL1

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-4003975-A1 SUBSTITUTED N-PHENYL-N-AMINOUARCILS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2022-06-01 EP disclosed
CN-114364666-A Substituted N-phenyl-N-semicarbazides pyrimidines and salts thereof and their use as herbicides 拜耳公司 2022-04-15 CN disclosed
WO-2021013800-A1 SUBSTITUTED N-PHENYL-N-AMINOUARCILS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed