SCHEMBL8204842

SCHEMBL8204842

c1ccc(N(c2ccc(N(c3ccccc3)c3cccc4ccccc34)o2)c2cccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ELANE P08246 1/20 0.34
TSHR P16473 2/20 0.34
DHFR P00374 1/20 0.34
CYP2A6 P11509 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL30799092 0.85 SIGMAR1 (0.51) SIGMAR1L3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL29906514 0.85 SIGMAR1 (0.51) SIGMAR1L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL272955 0.85 SIGMAR1 (0.51) SIGMAR1L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL292397 0.85 SIGMAR1 (0.51) SIGMAR1L3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL14962002 0.83 SIGMAR1 (0.36) SIGMAR1L3MBTL1KDM4ECYP1A2ALDH1A1
SCHEMBL4893902 0.83 SIGMAR1 (0.50) SIGMAR1L3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL4580501 0.83 SIGMAR1 (0.50) SIGMAR1L3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL76828 0.83 SIGMAR1 (0.50) SIGMAR1L3MBTL1KDM4ECYP1A2CYP2D6
SCHEMBL9934401 0.83 SIGMAR1 (0.50) SIGMAR1L3MBTL1KDM4ECYP1A2CYP2D6
Water SCHEMBL10786412 0.83 SIGMAR1 (0.50) SIGMAR1L3MBTL1CYP1A2CYP2D6CYP2C19

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
JP-2000319272-A (DIARYLAMINO)FURAN TOSOH CORP 2000-11-21 JP disclosed