SCHEMBL28899685

SCHEMBL28899685

Cc1c(C(=O)c2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMO Q99835 13/20 0.76

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
SCHEMBL13491286 0.94 SMO (0.75) SMO
SCHEMBL13491003 0.92 SMO (0.80) SMO
SCHEMBL30090633 0.91 SMO (0.76) SMO
SCHEMBL1834188 0.91 SMO (0.76) SMO
SCHEMBL13491004 0.86 SMO (1.00) SMO
SCHEMBL28899656 0.84 SMO (0.85) SMO
SCHEMBL15016233 0.84 SMO (0.70) SMO
SCHEMBL28899672 0.83 SMO (0.69) SMO
SCHEMBL3206860 0.83 SMO (1.00) SMO
SCHEMBL3260683 0.82 SMO (0.69) 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