SCHEMBL27884841

SCHEMBL27884841

CN(C)c1ccc(C(=O)c2ccc(Nc3cnccn3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
P4HTM Q9NXG6 2/20 0.43
TP53 P04637 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 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
SCHEMBL27918347 0.79 RAB9A (0.63) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL4874678 0.78 AURKA (0.60) MAPTNPC1RAB9AKMT2ATP53
SCHEMBL647152 0.77 ROCK1 (0.58) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL4872285 0.77 KMT2A (0.53) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4875132 0.73 RAB9A (0.49) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL9254344 0.72 MAPT (0.76) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL15648041 0.72 RAB9A (0.66) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL274966 0.72 ALDH1A1 (1.00) MAPTALDH1A1HPGDNPC1RAB9A
Michler'S Ketone SCHEMBL36517 0.72 ALDH1A1 (1.00) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL24627774 0.71 MAPT (0.73) MAPTALDH1A1HPGDNPC1RAB9A

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-102656141-A Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARM INC 2012-09-05 CN disclosed