SCHEMBL31265705

SCHEMBL31265705

COc1ccc(-n2nc(C(C)(C)C)cc2N)cc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
PTGS2 P35354 10/20 0.39
PTGS1 P23219 6/20 0.39
ALDH1A1 P00352 3/20 0.39
ABCB11 O95342 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
UGCG Q16739 1/20 0.37
RIPK2 O43353 1/20 0.37
PDE5A O76074 1/20 0.36
BRAF P15056 1/20 0.36

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
SCHEMBL14688241 0.87 RIPK2 (0.44) LMNAPTGS2ALDH1A1KDM4EMEN1
SCHEMBL13532209 0.85 MEN1 (0.46) LMNAPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL31388019 0.84 TRPV1 (0.42) LMNAALDH1A1KDM4EMEN1NPC1
SCHEMBL14688275 0.84 MEN1 (0.52) LMNAPTGS2PTGS1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3190696 0.84 MEN1 (0.48) LMNAPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL13532214 0.82 MEN1 (0.46) LMNAPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL21436696 0.82 ALDH1A1 (0.48) LMNAALDH1A1KDM4EMEN1NPC1
SCHEMBL31165906 0.82 ALDH1A1 (0.48) LMNAALDH1A1KDM4EMEN1NPC1
SCHEMBL31265748 0.82 LMNA (0.37) LMNAPTGS2PTGS1KDM4EMEN1
Hydrochloric Acid SCHEMBL3179045 0.81 MEN1 (0.48) LMNAPTGS2PTGS1ALDH1A1KDM4E

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-119060018-A N, N-diaryl urea derivative and application thereof 杭州百新生物医药科技有限公司 2024-12-03 CN disclosed