SCHEMBL7529284

SCHEMBL7529284

CNC(=O)O.Cc1ccc(CNC(=O)O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.54
NPC1 O15118 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
MMP13 P45452 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CARM1 Q86X55 1/20 0.41

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
SCHEMBL585949 0.94 NR1H4 (0.58) NR1H4NPC1KMT2AMEN1HTT
SCHEMBL7873314 0.84 MEN1 (0.45) NR1H4NPC1KMT2AMEN1HTT
SCHEMBL5724755 0.81 ALDH1A1 (0.55) NR1H4NPC1KMT2AMEN1HTT
SCHEMBL12773624 0.81 NR1H4 (0.53) NR1H4NPC1KMT2AMEN1HTT
SCHEMBL10732696 0.80 NPC1 (0.49) NR1H4NPC1KMT2AMEN1HTT
SCHEMBL24270281 0.79 KMT2A (0.53) NR1H4NPC1KMT2AMEN1RAB9A
SCHEMBL16370682 0.79 TSHR (0.47) NR1H4NPC1CYP1A2CYP2D6CYP2C9
SCHEMBL15290436 0.79 NR1H4 (0.50) NR1H4NPC1KMT2AMEN1HTT
SCHEMBL25189609 0.79 KMT2A (0.51) NR1H4KMT2AMEN1CYP1A2CYP2D6
SCHEMBL7526917 0.77 GAA (0.45) NPC1KMT2AMEN1CYP1A2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906014-B1 Shaped bodies which release agrochemicals BAYER AG (DE) 2002-03-27 EP disclosed
EP-0124404-A1 Insecticide collar and method for its manufacture Rombi, Max André (FR) 1984-11-07 EP disclosed