SCHEMBL30968983

SCHEMBL30968983

NCC(=O)Nc1ncnc2c1ncn2[C@]1(C=O)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ADORA2A P29274 2/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ SLC29A1 Q99808 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA1 P30542 1/20 0.37

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
SCHEMBL28033940 0.91 LMNA (0.40) RXFP1LMNATP53ALOX15TSHR
SCHEMBL30950292 0.85 TARS1 (0.37) SLC29A1ADORA1
SCHEMBL17627818 0.84 RXFP1 (0.39) RXFP1LMNATP53ALOX15TSHR
SCHEMBL30705001 0.84 RXFP1 (0.39) RXFP1LMNATP53ALOX15TSHR
SCHEMBL31031049 0.82 SLC29A1 (0.39) RXFP1LMNATSHRADORA2AADORA2B
SCHEMBL29401884 0.82 ADORA3 (0.53) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL3831039 0.82 ADORA3 (0.53) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL28662239 0.74 ADORA2A (0.38) LMNATP53HTTADORA2AADORA2B
SCHEMBL28758971 0.73 ADORA2A (0.65) RXFP1LMNATSHRHTTADORA2A
SCHEMBL29137662 0.73 SLC29A1 (0.42) ADORA2AADORA2BSLC29A1ADORA3ADORA1

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-118251494-A Compositions and methods for modulating KRAS expression 美国微哲默理有限责任公司 2024-06-25 — — CN disclosed
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