SCHEMBL9564466

SCHEMBL9564466

CCOC(=O)/C(=C\NC1CC1)C(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
LMNA P02545 4/20 0.43
VCAM1 P19320 1/20 0.40
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 4/20 0.39
HTT P42858 3/20 0.39
MITF O75030 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 5/20 0.38
GALR2 O43603 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.37
MC4R P32245 1/20 0.36
MDM2 Q00987 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
SCHEMBL9564468 1.00 MAPT (0.45) MAPTLMNAVCAM1POLBNPSR1
SCHEMBL10864550 0.92 MAPT (0.45) MAPTLMNAVCAM1POLBNPSR1
SCHEMBL1005272 0.85 MAPT (0.43) MAPTLMNAVCAM1POLBNPSR1
SCHEMBL6482749 0.85 MAPT (0.43) MAPTLMNAVCAM1POLBNPSR1
SCHEMBL9720579 0.84 GAA (0.42) MAPTLMNANPSR1SMN1; SMN2NPC1
SCHEMBL9211517 0.84 GAA (0.42) MAPTLMNANPSR1SMN1; SMN2NPC1
SCHEMBL9562462 0.84 GAA (0.42) MAPTLMNANPSR1SMN1; SMN2NPC1
SCHEMBL29754269 0.84 GAA (0.42) MAPTLMNANPSR1SMN1; SMN2NPC1
SCHEMBL5256942 0.82 GAA (0.48) MAPTLMNAPOLBNPSR1HTT
SCHEMBL10592860 0.82 GAA (0.48) MAPTLMNAPOLBNPSR1HTT

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