SCHEMBL7975005

SCHEMBL7975005

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NCc5ccccc5)ncnc43)[C@H](OC(=O)c3ccccc3)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.55
DNPH1 O43598 1/20 0.54
ADORA3 P0DMS8 10/20 0.52
TP53 P04637 1/20 0.51
SLC29A1 Q99808 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NT5E P21589 1/20 0.51
P2RX3 P56373 1/20 0.51
P2RX2 Q9UBL9 1/20 0.51

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
SCHEMBL7974919 0.95 ADORA3 (0.56) TYMPDNPH1ADORA3TP53SLC29A1
SCHEMBL7961549 0.95 TYMP (0.51) TYMPDNPH1ADORA3TP53SLC29A1
SCHEMBL27028364 0.86 TYMP (0.56) TYMP
SCHEMBL27135325 0.86 TYMP (0.56) TYMP
SCHEMBL1389703 0.85 DNPH1 (0.63) DNPH1ADORA3TP53SLC29A1TDP1
SCHEMBL23650062 0.85 TYMP (0.58) TYMP
SCHEMBL30091055 0.85 TYMP (0.58) TYMP
SCHEMBL30396368 0.85 TYMP (0.58) TYMP
SCHEMBL6513309 0.85 TYMP (0.58) TYMP
SCHEMBL7708120 0.85 TYMP (0.58) 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 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