SCHEMBL9857602

SCHEMBL9857602

CCOP(=O)(COCC(CO)On1cnc2c(=O)[nH]c(N)nc21)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
VCP P55072 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
HPRT1 P00492 16/20 0.51
PDE3A Q14432 1/20 0.47
PNP P00491 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
EDNRA P25101 1/20 0.46
HTR2A P28223 1/20 0.46
RECQL P46063 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL9857691 0.91 BLM (0.50) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL9858092 0.88 HPRT1 (0.66) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL9857660 0.86 HPRT1 (0.53) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL9417143 0.85 MEN1 (0.52) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL9858021 0.85 CDK1 (0.39) HPRT1
SCHEMBL9857698 0.82 PNP (0.50) BLMMEN1KMT2AHPRT1PNP
SCHEMBL10970953 0.82 BLM (0.66) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL9858312 0.82 FGFR1 (0.49) CYP3A4
SCHEMBL9857618 0.81 PNP (0.47) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL9417134 0.81 PNP (0.51) BLMMEN1KMT2AHPRT1PNP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5055458-A PURINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BEECHAM GROUP P.L.C. (GB) 1991-10-08 US claimed
EP-0353955-A2 Novel compounds BEECHAM GROUP PLC (GB) 1990-02-07 EP claimed
US-5055458-A PURINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BEECHAM GROUP P.L.C. (GB) 1991-10-08 US disclosed
EP-0353955-A2 Novel compounds BEECHAM GROUP PLC (GB) 1990-02-07 EP disclosed