SCHEMBL9564470

SCHEMBL9564470

CCOC(=O)C(=CN(C)C)C(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
MAPT P10636 6/20 0.43
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
CCR6 P51684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLO1 Q04760 1/20 0.38
THRB P10828 2/20 0.38
HTT P42858 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
VCAM1 P19320 2/20 0.38
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL742993 0.84 MAPT (0.47) POLBMAPTLMNAALDH1A1NPC1
SCHEMBL742994 0.84 MAPT (0.47) POLBMAPTLMNAALDH1A1NPC1
SCHEMBL3571235 0.83 NPSR1 (0.50) POLBMAPTLMNAALDH1A1NPSR1
SCHEMBL3571232 0.83 NPSR1 (0.50) POLBMAPTLMNAALDH1A1NPSR1
SCHEMBL4659561 0.81 CYP11B1 (0.39) MAPTLMNANPSR1HPGD
SCHEMBL4659563 0.81 CYP11B1 (0.39) MAPTLMNANPSR1HPGD
SCHEMBL9561743 0.81 CYP11B1 (0.39) MAPTLMNANPSR1HPGD
SCHEMBL28527405 0.81 MAPT (0.43) POLBMAPTLMNAALDH1A1NPSR1
SCHEMBL9564466 0.80 MAPT (0.45) POLBMAPTLMNAALDH1A1NPC1
SCHEMBL9564468 0.80 MAPT (0.45) POLBMAPTLMNAALDH1A1NPC1

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-0531958-A1 6-Aminoquinolones, their synthesis and their use as antibacterial agents MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-03-17 EP disclosed