SCHEMBL7974829

SCHEMBL7974829

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc(C(N)=O)n3)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 14/20 0.57
▸ LMNA P02545 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ EIF4E P06730 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ TOP1 P11387 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ ADORA1 P30542 1/20 0.54
▸ THPO P40225 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ PNP P00491 2/20 0.42

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
SCHEMBL13130114 1.00 TYMP (0.57) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL13130121 1.00 TYMP (0.57) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL13130125 0.90 TYMP (0.47) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL13130110 0.90 TYMP (0.47) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL8618793 0.89 TYMP (0.47) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL7974825 0.88 LMNA (0.52) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL7961312 0.85 GAPDH (0.45) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL12151510 0.79 LMNA (0.73) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL10675839 0.77 TYMP (0.69) TYMPLMNAALDH1A1ADORA1THPO
SCHEMBL10675834 0.77 TYMP (0.69) TYMPLMNAALDH1A1ADORA1THPO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281201-B1 REPLACEMENT OF THE ADENINE MOIETY IN THE (2'-5')OLIGOADENYLATE TRIMER CORE WITH 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE OR WITH N6-(BENZYLAMINO)PURINE (ADEBN)-MOIETIES HAS RESULTED IN A NEW GROUP OF INHIBITORS OF HIV-1 REPLICATION. TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2001-08-28 — — US disclosed
WO-1998056385-A1 BASE-MODIFIED DERIVATIVES OF 2',5'-OLIGOADENYLATE AND ANTIVIRAL USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1998-12-17 — — WO disclosed
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