SCHEMBL9548842

SCHEMBL9548842

CC(C)(C)[Si](C)(C)OC1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@]1(CO)CI

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.45
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41
HPRT1 P00492 2/20 0.39
HINT1 P49773 1/20 0.39
PNP P00491 2/20 0.38
BLM P54132 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
EDNRA P25101 1/20 0.38
HTR2A P28223 1/20 0.38
RECQL P46063 1/20 0.38
HBB P68871 1/20 0.38
HSD17B10 Q99714 1/20 0.38
STING1 Q86WV6 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 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
SCHEMBL9548838 1.00 ADORA3 (0.45) ADORA3POLBHPGDHPRT1HINT1
SCHEMBL9548756 0.95 ADORA3 (0.47) ADORA3POLBHPGDHPRT1HINT1
SCHEMBL9548741 0.95 ADORA3 (0.47) ADORA3POLBHPGDHPRT1HINT1
SCHEMBL9548759 0.88 ADORA3 (0.42) ADORA3POLBHPGDHPRT1HINT1
SCHEMBL9548754 0.88 ADORA3 (0.42) ADORA3POLBHPGDHPRT1HINT1
SCHEMBL9548601 0.88 ADORA3 (0.47) ADORA3POLBHPGDHPRT1HINT1
SCHEMBL9548596 0.88 ADORA3 (0.47) ADORA3POLBHPGDHPRT1HINT1
SCHEMBL9548685 0.87 ALDH1A1 (0.46) ADORA3PNPSTING1ALDH1A1LMNA
SCHEMBL9548627 0.85 AHCY (0.42) ADORA3HINT1PNPLMNASMN1; SMN2
SCHEMBL9548736 0.85 ADORA3 (0.45) ADORA3POLBHPGDHPRT1HINT1

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