SCHEMBL27770535

SCHEMBL27770535

[CH2]c1ccc(C(=O)N(C(C)=O)c2ccc(N)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP19A1 P11511 2/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
MAPK1 P28482 3/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
LMNA P02545 3/20 0.34
MAOA P21397 2/20 0.34
CYP1A2 P05177 1/20 0.34
PHLPP2 Q6ZVD8 1/20 0.33
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
XIAP P98170 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 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
SCHEMBL8000746 0.83 KMT2A (0.41) MAPTNPC1RAB9AALDH1A1TDP1
SCHEMBL26108874 0.78 CYP3A4 (0.48) MAPTNPC1RAB9ACYP19A1ALDH1A1
SCHEMBL7822792 0.78 GAA (0.40) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL2284325 0.73 TDP1 (0.46) MAPTNPC1RAB9ACYP19A1ALDH1A1
SCHEMBL28232904 0.73 KMT2A (0.51) MAPTNPC1RAB9AALDH1A1TDP1
SCHEMBL28168615 0.72 TDP1 (0.48) MAPTNPC1RAB9AALDH1A1CYP3A4
SCHEMBL7835448 0.72 RAB9A (0.42) MAPTNPC1RAB9AALDH1A1TDP1
SCHEMBL19998352 0.70 CYP3A4 (0.37) MAPTNPC1RAB9AALDH1A1CYP3A4
SCHEMBL8581201 0.70 KMT2A (0.50) MAPTALDH1A1CYP3A4TDP1MAPK1
SCHEMBL27258081 0.70 RAB9A (0.47) NPC1RAB9AALDH1A1TDP1KMT2A

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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed