SCHEMBL6596253

SCHEMBL6596253

O=C(O)c1cc(C#CCOCc2ccccc2)c2cccc([N+](=O)[O-])c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.37
MMP12 P39900 2/20 0.37
GPR35 Q9HC97 1/20 0.36
CTSB P07858 2/20 0.36
EIF4A1 P60842 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
POLB P06746 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SENP5 Q96HI0 1/20 0.35
SENP2 Q9HC62 1/20 0.35
SENP1 Q9P0U3 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL6596248 1.00 MMP2 (0.37) MMP2MMP12GPR35CTSBEIF4A1
SCHEMBL6080639 0.91 APP (0.43) MMP2MMP12CTSBEIF4A1ALDH1A1
SCHEMBL6591840 0.83 MRGPRX4 (0.43) MMP2MMP12ALDH1A1SMN1; SMN2
SCHEMBL6597779 0.81 CTSV (0.41) POLBSENP8SENP7SENP6TDP1
SCHEMBL28423586 0.80 MEN1 (0.40) GPR35EIF4A1ALDH1A1SMN1; SMN2AURKA
SCHEMBL6616134 0.80 MMP2 (0.36) MMP2MMP12GPR35CTSBEIF4A1
SCHEMBL6614590 0.79 CTSV (0.39) MMP2MMP12POLBSENP8SENP7
SCHEMBL6080643 0.79 KMT2A (0.38) MMP2MMP12GPR35EIF4A1ALDH1A1
SCHEMBL6592928 0.78 CTSV (0.47) POLBSENP8SENP7SENP6TDP1
SCHEMBL6592924 0.78 CTSV (0.47) POLBSENP8SENP7SENP6TDP1

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-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed