SCHEMBL29132941

SCHEMBL29132941

Cc1ccc(N(F)C(=O)OC(C)(C)C)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.34
ABL1 P00519 2/20 0.34
HPGD P15428 1/20 0.33
MT-CO2 P00403 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
HTT P42858 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
SCHEMBL27633382 0.82 MRGPRX4 (0.36) SSTR4MT-CO2HTT
SCHEMBL9540136 0.79 HPGD (0.35) HPGDHTT
SCHEMBL5349941 0.78 LMNA (0.36)
SCHEMBL406445 0.72 MEN1 (0.34) SSTR4HTT
SCHEMBL20887535 0.72 ABL1 (0.42) SSTR4ABL1
SCHEMBL1578922 0.70 HPGD (0.46) HPGDHTT
SCHEMBL22439621 0.70 MT-CO2 (0.36) MT-CO2
SCHEMBL4931096 0.70 ALDH1A1 (0.35)
SCHEMBL6272677 0.70 STAT5B (0.30)
SCHEMBL20577798 0.70 NR1H2 (0.36) SSTR4

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-117303991-A 4-trifluoromethyl substituted aromatic amine and synthesis method thereof 江苏笃行致远新材料科技有限公司 2023-12-29 CN disclosed