SCHEMBL8088063

SCHEMBL8088063

COc1ccc(C(=O)CSc2ccnc3ccccc23)c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
RAB9A P51151 2/20 0.45
KMT2A Q03164 3/20 0.42
PRNP P04156 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HPGDS O60760 1/20 0.41
PDE4D Q08499 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
COQ8A Q8NI60 1/20 0.40

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
SCHEMBL8084078 0.83 CYP1A2 (0.58) CYP1A2RAB9AKMT2APRNPPOLB
SCHEMBL8076758 0.83 CYP1A2 (0.47) CYP1A2RAB9AKMT2APRNPPOLB
SCHEMBL8089833 0.83 PPARG (0.57) CYP1A2KMT2APRNPPOLBRXFP1
SCHEMBL8084754 0.78 CYP1A2 (0.49) CYP1A2RAB9AKMT2APRNPPOLB
SCHEMBL8084118 0.77 THRA (0.52) CYP1A2RAB9AKMT2APRNPPOLB
SCHEMBL8084786 0.77 GCGR (0.59) CYP1A2RAB9AKMT2APRNPPOLB
SCHEMBL8084879 0.75 ALDH1A1 (0.50) CYP1A2RAB9AKMT2APRNPPOLB
SCHEMBL8076747 0.74 CYP1A2 (0.55) CYP1A2RAB9AKMT2APOLBALDH1A1
SCHEMBL8076711 0.73 MAPT (0.51) CYP1A2RAB9AKMT2APOLBALDH1A1
SCHEMBL8076795 0.73 LMNA (0.45) CYP1A2KMT2APOLBALDH1A1MEN1

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