SCHEMBL8084786

SCHEMBL8084786

COc1cc(C(=O)CSc2ccnc3ccccc23)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.59
CYP1A2 P05177 1/20 0.47
POLB P06746 5/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 4/20 0.47
RECQL P46063 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NSD2 O96028 2/20 0.47
APEX1 P27695 2/20 0.47
ALPG P10696 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
ESR2 Q92731 2/20 0.46
HSD17B10 Q99714 2/20 0.46
AR P10275 1/20 0.46
HPGD P15428 1/20 0.46
NR4A1 P22736 1/20 0.46
MAPK1 P28482 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
SCHEMBL8089833 0.87 PPARG (0.57) GCGRCYP1A2POLBMAPTKDM4E
SCHEMBL8076795 0.82 LMNA (0.45) GCGRCYP1A2POLBMAPTKDM4E
SCHEMBL8076711 0.82 MAPT (0.51) CYP1A2POLBMAPTKDM4EKMT2A
SCHEMBL8076707 0.81 TSHR (0.42) GCGRCYP1A2POLBMAPTKDM4E
SCHEMBL8076758 0.80 CYP1A2 (0.47) GCGRCYP1A2POLBMAPTKDM4E
SCHEMBL8076747 0.80 CYP1A2 (0.55) CYP1A2POLBMAPTKDM4EKMT2A
SCHEMBL8088268 0.80 HSD17B10 (0.50) CYP1A2POLBMAPTKDM4EGAA
SCHEMBL8084836 0.79 ALDH1A1 (0.54) CYP1A2POLBMAPTKDM4EGAA
SCHEMBL8084078 0.78 CYP1A2 (0.58) CYP1A2POLBMAPTKDM4ERECQL
SCHEMBL7374498 0.77 GCGR (0.59) GCGRMAPTKDM4EGAARECQL

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
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed