SCHEMBL8089833

SCHEMBL8089833

COc1cc(C(=O)CSc2ccnc3ccccc23)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.57
NCOA2 Q15596 1/20 0.57
NCOA1 Q15788 1/20 0.57
NCOA3 Q9Y6Q9 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 1/20 0.49
GAK O14976 1/20 0.48
RIPK2 O43353 1/20 0.48
COQ8A Q8NI60 1/20 0.48
NLK Q9UBE8 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.46
PRNP P04156 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 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
SCHEMBL8084786 0.87 GCGR (0.59) PPARGNCOA2NCOA1NCOA3L3MBTL1
SCHEMBL8088063 0.83 CYP1A2 (0.46) L3MBTL1CYP1A2GAKRIPK2COQ8A
SCHEMBL8076758 0.80 CYP1A2 (0.47) CYP1A2ALDH1A1KDM4ELMNAPRNP
SCHEMBL8084078 0.80 CYP1A2 (0.58) L3MBTL1SMN1; SMN2CYP1A2ALDH1A1KDM4E
SCHEMBL8076711 0.80 MAPT (0.51) L3MBTL1SMN1; SMN2HSD17B10CYP1A2ALDH1A1
SCHEMBL8076795 0.80 LMNA (0.45) CYP1A2ALDH1A1KDM4ELMNAPOLB
SCHEMBL8076747 0.80 CYP1A2 (0.55) L3MBTL1SMN1; SMN2CYP1A2ALDH1A1KDM4E
SCHEMBL8076707 0.79 TSHR (0.42) PPARGNCOA2NCOA1NCOA3HSD17B10
SCHEMBL8088268 0.77 HSD17B10 (0.50) L3MBTL1SMN1; SMN2HSD17B10CYP1A2ALDH1A1
SCHEMBL8084836 0.76 ALDH1A1 (0.54) L3MBTL1SMN1; SMN2HSD17B10CYP1A2ALDH1A1

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