SCHEMBL8086920

SCHEMBL8086920

CCOC(=O)c1cc(Cl)ccc1NC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 4/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.47
ALOX15 P16050 1/20 0.47
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
GCGR P47871 1/20 0.45
MAPT P10636 1/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44

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
SCHEMBL14217003 0.88 MAPK1 (0.52) KDM4EALDH1A1GLAGAAKMT2A
SCHEMBL19436594 0.84 CYP1A2 (0.54) KDM4EALDH1A1GAAKMT2AMAPK1
SCHEMBL4358899 0.83 KDM4E (0.67) KDM4EALDH1A1GLAGAAKMT2A
SCHEMBL9573763 0.82 LMNA (0.52) KDM4EALDH1A1GAAKMT2AMAPK1
SCHEMBL235046 0.82 TSHR (0.60) KDM4EALDH1A1KMT2AMAPK1TSHR
SCHEMBL31469786 0.81 HPGD (0.67) KDM4EALDH1A1KMT2ATSHRMEN1
SCHEMBL10834442 0.80 MAPT (0.48) KDM4EALDH1A1GAAKMT2AMAPK1
SCHEMBL11225504 0.80 CYP4F2 (0.67) KDM4EALDH1A1KMT2AMAPK1TSHR
SCHEMBL549144 0.80 MAPK1 (0.54) KDM4EALDH1A1KMT2AMAPK1TSHR
SCHEMBL9195051 0.79 KDM4E (0.51) KDM4EALDH1A1GAAKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1284878-A Drugs augmenting NKT cells FUJISAWA PHARMACEUTICAL CO (JP) 2001-02-21 CN disclosed
EP-1048296-A1 DRUGS AUGMENTING NKT CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed