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SCHEMBL6911080

SCHEMBL6911080

COc1ccc(C(OC(C(=O)c2ccccc2)[C@H]2O[C@@H](n3cnc4c(NCc5ccc(C(C)(C)C)cc5)ncnc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.44
▸ DOT1L Q8TEK3 1/20 0.43
▸ CCNB2 O95067 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42
▸ ADORA3 P0DMS8 3/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ PAX8 Q06710 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ DNPH1 O43598 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5348155 0.85 CHKA (0.42) ADORA1
SCHEMBL18486296 0.78 TYMP (0.56) SLC29A1ADORA3DNPH1NPC1RAB9A
SCHEMBL16401776 0.78 TYMP (0.42) DOT1LADORA1
SCHEMBL18486247 0.77 TYMP (0.52) SLC29A1ADORA3DNPH1
SCHEMBL888001 0.76 ADORA3 (0.45) ADORA3ADORA1
SCHEMBL17599866 0.75 TYMP (0.40) DOT1LADORA1
SCHEMBL2112347 0.75 ADORA3 (0.47) ADORA3ADORA1
SCHEMBL2237698 0.74 ADORA3 (0.38) ADORA3ADORA1TSHR
SCHEMBL18486406 0.74 TYMP (0.52) SLC29A1ADORA3ADORA1PAX8DNPH1
SCHEMBL18486200 0.74 TYMP (0.52) SLC29A1ADORA3ADORA1DNPH1

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
EP-0866071-B1 Modified primers HOFFMANN LA ROCHE (CH) 2004-10-20 — — EP disclosed