SCHEMBL9548623

SCHEMBL9548623

C[SiH](C)[C@]1(n2cnc3c(=O)[nH]c(N)nc32)C[C@H](OC(C)(C)C)[C@@H](CO)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 2/20 0.39
PNP P00491 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
EDNRA P25101 1/20 0.39
HTR2A P28223 1/20 0.39
RECQL P46063 1/20 0.39
HBB P68871 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
VCP P55072 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL9548775 0.82 ADORA3 (0.44) ADORA3BLMPNPUSP2TSHR
SCHEMBL9548605 0.82 ADORA3 (0.42) ADORA3BLMPNPUSP2TSHR
SCHEMBL9548835 0.81 ADORA2A (0.44) ADORA3MEN1KMT2ASMN1; SMN2
SCHEMBL25387706 0.81 HPGD (0.40) ADORA3HPGDBLMPNPUSP2
SCHEMBL9548845 0.81 ADORA3 (0.42) ADORA3HPGDBLMPNPUSP2
SCHEMBL26130922 0.79 HINT1 (0.41) ADORA3HPGDBLMPNPUSP2
SCHEMBL9548751 0.79 ADORA3 (0.40) ADORA3BLMPNPUSP2TSHR
SCHEMBL9548667 0.77 ADORA3 (0.39) ADORA3BLMPNPUSP2TSHR
SCHEMBL9548762 0.77 ADORA3 (0.40) ADORA3BLMPNPUSP2TSHR
SCHEMBL1514934 0.76 PNP (0.36) ADORA3BLMPNPUSP2TSHR

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