SCHEMBL30814435

SCHEMBL30814435

O=C(O)c1cnn(-c2cccc3ccccc23)c1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
MAPT P10636 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MALT1 Q9UDY8 13/20 0.61
KDM4E B2RXH2 3/20 0.49
KEAP1 Q14145 3/20 0.49
NFE2L2 Q16236 3/20 0.49
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 1/20 0.46

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
SCHEMBL20265650 1.00 POLB (0.64) POLBMAPTSMN1; SMN2MALT1KDM4E
SCHEMBL20265617 0.89 MALT1 (0.60) POLBMAPTSMN1; SMN2MALT1
SCHEMBL20278408 0.88 MALT1 (0.62) POLBMAPTSMN1; SMN2MALT1
SCHEMBL20278208 0.88 MALT1 (0.60) POLBMAPTSMN1; SMN2MALT1KDM4E
SCHEMBL20265464 0.87 POLB (0.61) POLBMAPTSMN1; SMN2MALT1
SCHEMBL20265337 0.86 POLB (0.59) POLBMAPTSMN1; SMN2MALT1KDM4E
SCHEMBL30546555 0.84 MALT1 (0.66) POLBMAPTSMN1; SMN2MALT1
SCHEMBL20265580 0.84 MALT1 (0.66) POLBMAPTSMN1; SMN2MALT1
SCHEMBL20283678 0.83 POLB (0.55) POLBMAPTSMN1; SMN2MALT1KDM4E
SCHEMBL24802622 0.82 MAPT (0.69) POLBMAPTSMN1; SMN2MALT1KDM4E

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-117500805-A Novel urea derivative compounds as RON inhibitors 株式会社LG化学 2024-02-02 CN disclosed