SCHEMBL8491002

SCHEMBL8491002

c1ccc(Nn2nnc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 10/20 0.50
SLC9A1 P19634 4/20 0.47
CYP1A2 P05177 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
KEAP1 Q14145 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
THPO P40225 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP4F8 P98187 1/20 0.47
CYP4F12 Q9HCS2 1/20 0.47
GRM2 Q14416 1/20 0.44
DGAT1 O75907 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL14548209 0.86 RAB9A (0.51) CYP4Z1SLC9A1CYP1A2POLBMAPK1
SCHEMBL16639135 0.76 CYP4Z1 (0.55) CYP4Z1SLC9A1CYP1A2POLBMAPK1
SCHEMBL29518725 0.76 CYP4Z1 (0.57) CYP4Z1SLC9A1CYP1A2POLBMAPK1
SCHEMBL7243835 0.76 POLB (0.55) CYP4Z1SLC9A1CYP1A2POLBMAPK1
SCHEMBL5662069 0.76 CYP4Z1 (0.57) CYP4Z1SLC9A1CYP1A2POLBMAPK1
SCHEMBL18833167 0.76 CYP4Z1 (0.53) CYP4Z1SLC9A1CYP1A2POLBMAPK1
SCHEMBL5189588 0.73 CYP4Z1 (0.43) CYP4Z1SLC9A1CYP1A2POLBMAPK1
SCHEMBL14679890 0.72 CYP4Z1 (0.71) CYP4Z1SLC9A1CYP1A2POLBMAPK1
SCHEMBL19502450 0.72 CYP4Z1 (0.53) CYP4Z1SLC9A1CYP1A2POLBMAPK1
SCHEMBL5027960 0.72 CYP4Z1 (0.49) CYP4Z1SLC9A1CYP1A2POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999023170-A1 TRIPHENDIOXAZINE COLORANTS BAYER AKTIENGESELLSCHAFT (DE) 1999-05-14 WO claimed