SCHEMBL31160232

SCHEMBL31160232

F[C@H]1[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](n2cnc3c(NC(c4ccccc4)(c4ccccc4)c4ccccc4)ncnc32)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 10/20 0.53
ADORA1 P30542 2/20 0.44
NT5E P21589 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
NPY1R P25929 1/20 0.41
HTT P42858 1/20 0.41
NPY2R P49146 1/20 0.41
RAB9A P51151 1/20 0.41
SLC29A1 Q99808 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL18797901 1.00 TYMP (0.53) TYMPADORA1NT5ELMNAALDH1A1
SCHEMBL18797886 0.90 TYMP (0.62) TYMPADORA1LMNAALDH1A1GLA
SCHEMBL31160244 0.90 TYMP (0.62) TYMPADORA1LMNAALDH1A1GLA
SCHEMBL18797888 0.90 TYMP (0.62) TYMPADORA1LMNAALDH1A1GLA
SCHEMBL22393118 0.86 TYMP (0.54) TYMPADORA1
SCHEMBL22393120 0.86 TYMP (0.47) TYMPADORA1SLC29A1
SCHEMBL22139780 0.86 TYMP (0.47) TYMPADORA1SLC29A1
SCHEMBL3794663 0.84 TYMP (0.58) TYMPADORA1
SCHEMBL22392968 0.84 TYMP (0.74) TYMPADORA1LMNAALDH1A1GLA
SCHEMBL22930806 0.83 TYMP (0.51) TYMPADORA1LMNAALDH1A1GLA

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-118813612-A Application of compound in RNAi (ribonucleic acid interference) medicament 纳肽得(青岛)生物医药有限公司 2024-10-22 CN disclosed