SCHEMBL11213631

SCHEMBL11213631

c1cncc(CNc2ccc(Oc3ccccc3NCc3cccnc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.60
ALDH1A1 P00352 3/20 0.56
MAPT P10636 4/20 0.50
NAMPT P43490 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PABPC1 P11940 1/20 0.49
CACNA1B Q00975 2/20 0.48
CYP3A4 P08684 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 2/20 0.47
MAPK14 Q16539 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL7423012 0.88 MAPK14 (0.48) LTA4HALDH1A1MAPTNAMPTKDM4E
SCHEMBL6730999 0.86 LTA4H (0.58) LTA4HALDH1A1MAPTNAMPTKDM4E
SCHEMBL6727553 0.86 LTA4H (0.58) LTA4HALDH1A1MAPTKDM4ELMNA
SCHEMBL11216885 0.85 CACNA1B (0.54) CACNA1BMAPK14
SCHEMBL6833672 0.85 LTA4H (0.73) LTA4HALDH1A1MAPTNAMPTKDM4E
SCHEMBL11216479 0.84 CACNA1B (0.58) MAPTHTTMEN1KMT2ACACNA1B
SCHEMBL6735876 0.83 MAPK14 (0.68) LTA4HALDH1A1MAPTNAMPTKDM4E
SCHEMBL7423017 0.80 LTA4H (0.60) LTA4HALDH1A1MAPTNAMPTKDM4E
SCHEMBL24517122 0.79 SCN9A (0.62) LTA4HALDH1A1MAPTNAMPTKDM4E
SCHEMBL2908596 0.77 ALDH1A1 (0.69) LTA4HALDH1A1MAPTNAMPTKDM4E

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-4309294-A OIL ADDITIVES UOP INC. (US) 1982-01-05 US disclosed