SCHEMBL31474447

SCHEMBL31474447

C=CC(=O)N1CCN(c2ncccc2Cc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.46
▸ TGM2 P21980 3/20 0.44
▸ F13A1 P00488 2/20 0.44
▸ TGM1 P22735 2/20 0.44
▸ HSD11B1 P28845 4/20 0.42
▸ GAA P10253 1/20 0.41
▸ TRPV1 Q8NER1 4/20 0.40
▸ TGM3 Q08188 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KRAS P01116 1/20 0.39
▸ KIT P10721 1/20 0.38
▸ TEAD1 P28347 1/20 0.38

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
SCHEMBL31474450 0.86 KIT (0.39) RBP4TGM2F13A1TGM1HSD11B1
SCHEMBL31474528 0.82 RBP4 (0.45) RBP4HSD11B1GAATRPV1KRAS
SCHEMBL26105982 0.81 HSD11B1 (0.44) RBP4TGM2F13A1TGM1HSD11B1
SCHEMBL30591753 0.81 HSD11B1 (0.44) RBP4TGM2F13A1TGM1HSD11B1
SCHEMBL31474453 0.80 TRPV1 (0.52) RBP4HSD11B1GAATRPV1TEAD1
SCHEMBL30591829 0.79 F13A1 (0.43) RBP4TGM2F13A1TGM1HSD11B1
SCHEMBL30591869 0.74 HTR1A (0.41) TGM2F13A1TGM1HSD11B1GAA
SCHEMBL26108174 0.74 HTR1A (0.41) TGM2F13A1TGM1HSD11B1GAA
SCHEMBL30591660 0.73 TRPV1 (0.41) TGM2F13A1TGM1TRPV1
SCHEMBL26104463 0.73 TRPV1 (0.41) TGM2F13A1TGM1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119403551-A Small molecule inhibitors of TEA domain family members 斯克里普斯研究学院 2025-02-07 — — CN claimed
CN-119403551-A Small molecule inhibitors of TEA domain family members 斯克里普斯研究学院 2025-02-07 — — CN disclosed
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