SCHEMBL8959020

SCHEMBL8959020

Fc1nc(OCc2ccccc2)c2nc[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 3/20 0.46
CYP3A4 P08684 2/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 0.46
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
CCNA1 P78396 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
PIN1 Q13526 1/20 0.46
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
MPO P05164 4/20 0.43

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
SCHEMBL31439118 0.84 MPO (0.44) MGMTCYP3A4CDK1CCNB1CCNA2
SCHEMBL14998811 0.83 DYRK1A (0.48) MGMTCYP3A4CDK1CCNB1CCNA2
SCHEMBL29661259 0.83 PIN1 (0.46) MGMTCYP3A4CDK1CCNB1CCNA2
6-O-Benzylguanine SCHEMBL29405347 0.83 MGMT (0.63) MGMTCYP3A4CDK1CCNB1CCNA2
6-O-Benzylguanine SCHEMBL600698 0.83 MGMT (0.63) MGMTCYP3A4CDK1CCNB1CCNA2
SCHEMBL7437643 0.83 PIN1 (0.46) MGMTCYP3A4CDK1CCNB1CCNA2
6-O-Benzylguanine SCHEMBL4631743 0.82 MGMT (0.61) MGMTCYP3A4CDK1CCNB1CCNA2
SCHEMBL821766 0.78 CDC7 (0.60) MGMTCYP3A4CDK1CCNB1CCNA2
SCHEMBL21591842 0.78 MPO (0.43) MGMTCYP3A4CDK1CCNB1CCNA2
6-O-Benzylguanine SCHEMBL4869637 0.78 MGMT (0.56) MGMTCYP3A4CDK1CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523100-B1 O6 -BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY US HEALTH (US) 1996-08-28 EP disclosed
EP-0691981-A1 TUMOR TARGETING WITH L-ENANTIOMERIC OLIGONUCLEOTIDE CONJUGATES OF IMMUNOREAGENTS AND OF CHELATED RADIONUCLIDES THE WELLCOME FOUNDATION LIMITED (GB) 1996-01-17 EP disclosed
WO-1994020523-A1 TUMOR TARGETING WITH L-ENANTIOMERIC OLIGONUCLEOTIDE CONJUGATES OF IMMUNOREAGENTS AND OF CHELATED RADIONUCLIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-09-15 WO disclosed