SCHEMBL31207233

SCHEMBL31207233

Cc1cnc(NC(=O)Cc2ccc(NC(=O)c3ncco3)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 9/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 6/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ PKM P14618 3/20 0.49
▸ ALOX12 P18054 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ CCNE1 P24864 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CDK5 Q00535 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ WNT3A P56704 1/20 0.44

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
SCHEMBL31206960 0.82 SMN1; SMN2 (0.51) SMN1; SMN2HTTRAB9ANPC1PKM
SCHEMBL31206999 0.82 SMN1; SMN2 (0.51) SMN1; SMN2HTTRAB9ANPC1PKM
SCHEMBL31207091 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HTTRAB9ANPC1PKM
SCHEMBL31207076 0.81 SMN1; SMN2 (0.50) SMN1; SMN2HTTRAB9ANPC1PKM
SCHEMBL31207080 0.81 RAB9A (0.70) SMN1; SMN2HTTRAB9ANPC1PKM
SCHEMBL31207181 0.80 MEN1 (0.57) SMN1; SMN2HTTRAB9ANPC1CCNE1
SCHEMBL265456 0.78 SMN1; SMN2 (0.68) SMN1; SMN2HTTRAB9ANPC1PKM
SCHEMBL31207079 0.77 SMN1; SMN2 (0.50) SMN1; SMN2HTTRAB9ANPC1PKM
SCHEMBL31207120 0.75 SMN1; SMN2 (0.58) SMN1; SMN2HTTRAB9ANPC1PKM
SCHEMBL31206965 0.74 SMN1; SMN2 (0.57) SMN1; SMN2HTTRAB9ANPC1PKM

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-118955493-A Novel CCNK molecular gel degradation agent, preparation method thereof and application thereof as medicine 广东药科大学 2024-11-15 — — CN disclosed
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