SCHEMBL5031674

SCHEMBL5031674

C=CC(c1ccncc1)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 1/20 0.41
CYP19A1 P11511 2/20 0.39
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 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
SCHEMBL6702613 0.87 CYP19A1 (0.61) SLC6A2SLC6A4SLC6A3CYP19A1LMNA
SCHEMBL30440878 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP3A4CYP19A1
SCHEMBL28711798 0.78 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4LMNA
SCHEMBL7349683 0.75 CYP3A4 (0.41) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C19
SCHEMBL3408213 0.75 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C19
Bromide SCHEMBL3812029 0.73 CYP3A4 (0.41) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C19
SCHEMBL246438 0.72 KDM4E (0.53) CYP3A4CYP2C19MAPTLMNAKDM4E
SCHEMBL12333611 0.72 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C19
SCHEMBL7810592 0.70
SCHEMBL28639731 0.70 KDM4E (0.52) CYP3A4CYP2C19MAPTLMNAKDM4E

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
US-20080274419-A1 Photoconductors XEROX CORPORATION 2008-11-06 US claimed