SCHEMBL7974681

SCHEMBL7974681

COc1ccc(C(OC(Cc2ccccc2)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.53
AHCY P23526 3/20 0.50
CARM1 Q86X55 2/20 0.50
TRDMT1 O14717 1/20 0.50
TYMP P19971 1/20 0.50
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46
GNMT Q14749 1/20 0.46
NNMT P40261 1/20 0.46

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
SCHEMBL1068356 0.87 ADORA1 (0.54) ADORA1AHCYCARM1TRDMT1TYMP
SCHEMBL2107506 0.86 ADORA1 (0.53) ADORA1AHCYCARM1TRDMT1TYMP
SCHEMBL1318856 0.84 ADORA1 (0.51) ADORA1AHCYCARM1TRDMT1TYMP
SCHEMBL1582886 0.84 EHMT1 (0.47) ADORA1AHCYCARM1TRDMT1TYMP
SCHEMBL5580213 0.84 ADORA1 (0.57) ADORA1AHCYCARM1TRDMT1TYMP
SCHEMBL15993919 0.81 ADORA1 (0.75) ADORA1TRDMT1TYMP
SCHEMBL16715145 0.81 ADORA1 (0.75) ADORA1TRDMT1TYMP
SCHEMBL8359104 0.81 ADORA1 (0.75) ADORA1TRDMT1TYMP
SCHEMBL1068571 0.81 ADORA1 (0.75) ADORA1TRDMT1TYMP
SCHEMBL1583007 0.80 EHMT1 (0.43) ADORA1AHCYCARM1TRDMT1TYMP

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