SCHEMBL30090657

SCHEMBL30090657

Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMO Q99835 17/20 1.00

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
SCHEMBL3224152 1.00 SMO (1.00) SMO
SCHEMBL3224123 0.92 SMO (0.84) SMO
SCHEMBL30090602 0.87 SMO (1.00) SMO
SCHEMBL3219013 0.87 SMO (1.00) SMO
SCHEMBL13491293 0.85 SMO (0.75) SMO
SCHEMBL3206610 0.83 SMO (0.70) SMO
SCHEMBL13491019 0.82 SMO (0.69) SMO
SCHEMBL13838302 0.77 SMO (0.62) SMO
SCHEMBL15293996 0.75 SMO (0.67) SMO
SCHEMBL3215604 0.74 SMO (0.59) SMO

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-115414480-A Dianhydrogalactitol in combination with radiation for treatment of non-small cell lung cancer and glioblastoma multiforme 德玛医药 2022-12-02 CN disclosed