SCHEMBL9548649

SCHEMBL9548649

CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@]1(C=NO)CO

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.40
HINT1 P49773 1/20 0.39
STING1 Q86WV6 2/20 0.39
HPRT1 P00492 2/20 0.38
NT5E P21589 1/20 0.38
USP2 O75604 1/20 0.37
PNP P00491 1/20 0.37
TSHR P16473 1/20 0.37
EDNRA P25101 1/20 0.37
HTR2A P28223 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
HBB P68871 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL9548660 1.00 ADORA3 (0.43) ADORA3POLBHPGDHINT1STING1
SCHEMBL9548736 0.92 ADORA3 (0.45) ADORA3POLBHPGDHINT1STING1
SCHEMBL9548723 0.92 ADORA3 (0.45) ADORA3POLBHPGDHINT1STING1
SCHEMBL9548798 0.88 ALDH1A1 (0.45) ADORA3STING1
SCHEMBL9548596 0.87 ADORA3 (0.47) ADORA3POLBHPGDHINT1STING1
SCHEMBL9548601 0.87 ADORA3 (0.47) ADORA3POLBHPGDHINT1STING1
SCHEMBL9548741 0.87 ADORA3 (0.47) ADORA3POLBHPGDHINT1STING1
SCHEMBL9548756 0.87 ADORA3 (0.47) ADORA3POLBHPGDHINT1STING1
SCHEMBL9548888 0.86 AHCY (0.41) ADORA3HINT1NT5EPNPHBB
SCHEMBL9548838 0.84 ADORA3 (0.45) ADORA3POLBHPGDHINT1STING1

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
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed