SCHEMBL9548716

SCHEMBL9548716

N#C[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)CC1O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.53
POLB P06746 1/20 0.47
PNP P00491 1/20 0.46
STING1 Q86WV6 3/20 0.45
HPRT1 P00492 3/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
TK1 P04183 1/20 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
SCHEMBL9548710 1.00 ADORA3 (0.53) ADORA3POLBPNPSTING1HPRT1
SCHEMBL26136545 0.91 ADORA3 (0.52) ADORA3POLBPNPSTING1HPRT1
SCHEMBL26135607 0.91 ADORA3 (0.52) ADORA3POLBPNPSTING1HPRT1
SCHEMBL7216535 0.91 ADORA3 (0.52) ADORA3POLBPNPSTING1HPRT1
SCHEMBL7211319 0.91 ADORA3 (0.52) ADORA3POLBPNPSTING1HPRT1
SCHEMBL31652885 0.91 ADORA3 (0.52) ADORA3POLBPNPSTING1HPRT1
SCHEMBL9548613 0.86 ALDH1A1 (0.53) ADORA3STING1HPRT1
SCHEMBL9548617 0.86 ALDH1A1 (0.53) ADORA3STING1HPRT1
SCHEMBL9548662 0.85 ADORA3 (0.56) ADORA3POLBPNPSTING1HPRT1
SCHEMBL9548656 0.85 ADORA3 (0.56) ADORA3POLBPNPSTING1HPRT1

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