SCHEMBL24513003

SCHEMBL24513003

COc1ccc(C(OC[C@]23COC(C2O[PH](O)=S)[C@H](n2cnc4c(=O)[nH]c(NC(=O)C(C)C)nc42)O3)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 5/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PDE9A O76083 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30

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
SCHEMBL1096942 0.90 TYMP (0.45) TYMPKDM4EHPGDTAS1R3TAS1R1
SCHEMBL24513002 0.90 TYMP (0.45) TYMPKDM4EHPGDTAS1R3TAS1R1
SCHEMBL19362152 0.90 TYMP (0.45) TYMPKDM4EHPGDTAS1R3TAS1R1
SCHEMBL25630145 0.88 TYMP (0.42) TYMPKDM4EHPGDTAS1R3TAS1R1
SCHEMBL22408780 0.84 TYMP (0.36) TYMPKDM4EHPGD
SCHEMBL22408779 0.84 TYMP (0.36) TYMPKDM4EHPGD
SCHEMBL31196681 0.83 KDM4E (0.36) TYMPKDM4E
SCHEMBL24659264 0.83 TYMP (0.35) TYMPKDM4E
SCHEMBL23263917 0.83 TYMP (0.35) TYMPKDM4E
SCHEMBL24512769 0.82 TYMP (0.39) TYMP

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
WO-2022122613-A1 NOVEL SYNTHESIS OF PHOSPHORODITHIOATE OLIGONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2022-06-16 — — WO disclosed
Send feedback