SCHEMBL28976609

SCHEMBL28976609

Cn1nc(C(=O)O)c(C2CCC(F)(F)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.36
▸ TEAD4 Q15561 1/20 0.36
▸ TEAD2 Q15562 1/20 0.36
▸ CHRNA7 P36544 2/20 0.35
▸ EPHX2 P34913 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ AKT2 P31751 1/20 0.31
▸ AKT3 Q9Y243 1/20 0.31
▸ HCAR2 Q8TDS4 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
SCHEMBL29252887 0.87 KDM1A (0.34) TEAD1TEAD4TEAD2CHRNA7EPHX2
SCHEMBL30281156 0.84 — —
SCHEMBL30281268 0.79 SMN1; SMN2 (0.36) TEAD1TEAD4TEAD2SMN1; SMN2HCAR2
SCHEMBL28976368 0.72 KDM1A (0.32) TEAD1TEAD4TEAD2EPHX2KDM1A
SCHEMBL28976378 0.72 JAK2 (0.36) TEAD1TEAD4TEAD2CHRNA7EPHX2
SCHEMBL30281179 0.71 — —
SCHEMBL26615968 0.69 AKT1 (0.36) TEAD1TEAD4TEAD2CHRNA7EPHX2
SCHEMBL2186183 0.68 ALDH1A1 (0.35) SMN1; SMN2HCAR2
SCHEMBL26615974 0.65 — —
SCHEMBL30281265 0.65 JAK2 (0.35) KDM1A

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-115884810-A Imidazopyridazines as IL-17 modulators 詹森药业有限公司 2023-03-31 — — CN disclosed
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