SCHEMBL31474450

SCHEMBL31474450

C=CC(=O)N1CCN(c2nccnc2Cc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.39
▸ TEAD1 P28347 1/20 0.39
▸ TGM2 P21980 2/20 0.39
▸ F13A1 P00488 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ HSD11B1 P28845 3/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ KRAS P01116 5/20 0.37
▸ RBP4 P02753 1/20 0.36
▸ ENPP2 Q13822 3/20 0.36
▸ GAA P10253 1/20 0.35

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
SCHEMBL30591735 0.86 TEAD1 (0.51) TEAD1TRPV1
SCHEMBL26105412 0.86 TEAD1 (0.51) TEAD1TRPV1
SCHEMBL31474447 0.86 RBP4 (0.46) KITTEAD1TGM2F13A1TGM1
SCHEMBL30591869 0.78 HTR1A (0.41) TGM2F13A1TGM1HSD11B1TRPV1
SCHEMBL26108174 0.78 HTR1A (0.41) TGM2F13A1TGM1HSD11B1TRPV1
SCHEMBL30591660 0.77 TRPV1 (0.41) TGM2F13A1TGM1TRPV1
SCHEMBL26104463 0.77 TRPV1 (0.41) TGM2F13A1TGM1TRPV1
SCHEMBL30591753 0.76 HSD11B1 (0.44) TGM2F13A1TGM1HSD11B1TRPV1
SCHEMBL26105982 0.76 HSD11B1 (0.44) TGM2F13A1TGM1HSD11B1TRPV1
SCHEMBL30591829 0.75 F13A1 (0.43) TGM2F13A1TGM1HSD11B1TRPV1

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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