SCHEMBL9322124

SCHEMBL9322124

Nc1cccc(NC(=O)C2C=CC=CC2(O)C(=O)Nc2cccc(N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.47
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
PTGS1 P23219 3/20 0.38
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
SRD5A1 P18405 1/20 0.34
GAA P10253 2/20 0.34

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
SCHEMBL9320443 0.84 MAPT (0.41) MAPTHDAC1PTGS1POLBGAA
SCHEMBL9321265 0.79 F13A1 (0.31)
SCHEMBL14752902 0.71 DDX3X (0.51) DDX3XALDH1A1SMN1; SMN2MAPTHDAC3
SCHEMBL7765874 0.69 TOP2A (0.43) ALDH1A1SMN1; SMN2MAPTHDAC6NPC1
SCHEMBL4230443 0.69 DDX3X (0.65) DDX3XALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL1242082 0.66 NPSR1 (0.69) DDX3XALDH1A1SMN1; SMN2GAANPSR1
SCHEMBL12825257 0.66 NPSR1 (0.65) DDX3XALDH1A1SMN1; SMN2GAANPSR1
SCHEMBL5080048 0.66 TOP2A (0.43) ALDH1A1SMN1; SMN2MAPTHDAC6NPC1
SCHEMBL27478753 0.66 TOP2A (0.43) ALDH1A1SMN1; SMN2MAPTHDAC6NPC1
SCHEMBL1657499 0.66 DDX3X (1.00) DDX3XALDH1A1SMN1; SMN2MAPTHDAC3

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
EP-0387106-B1 Novel diamine compounds, production of the same and polyamideimide resins produced therefrom TOMOEGAWA PAPER CO LTD (JP) 1994-02-02 EP disclosed