SCHEMBL31111331

SCHEMBL31111331

COC(=O)C(C)C(C)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA14 Q9ULX7 3/20 0.38
CA12 O43570 2/20 0.35
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
CFTR P13569 1/20 0.32
KMT2A Q03164 1/20 0.31
ACHE P22303 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MLYCD O95822 1/20 0.31

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
SCHEMBL23130631 0.82 SMN1; SMN2 (0.42) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL10710117 0.82 SMN1; SMN2 (0.42) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL7434659 0.79 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL26042723 0.79 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL13798757 0.79 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL27581260 0.78 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL10331462 0.77 SMN1; SMN2 (0.42) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL15777140 0.75 SMN1; SMN2 (0.41) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL28738654 0.75 SMN1; SMN2 (0.41) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL9763405 0.75 SMN1; SMN2 (0.41) SMN1; SMN2CA1CA2CA14CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285572-A Kinase inhibitors and uses thereof 戴纳立制药公司 2025-01-10 CN disclosed
CN-119264073-A Kinase inhibitors and uses thereof 戴纳立制药公司 2025-01-07 CN disclosed
CN-110913858-B Kinase inhibitors and uses thereof 戴纳立制药公司 2024-09-24 CN disclosed