SCHEMBL27530331

SCHEMBL27530331

O=[N+]([O-])c1cccc(C(NCCc2ccccc2)c2ccc(Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.50
GRM4 Q14833 1/20 0.50
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
CXCR3 P49682 1/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
ALOX12 P18054 1/20 0.46
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL27530328 1.00 GRM8 (0.50) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL7780406 0.93 GRM8 (0.55) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL7780402 0.93 GRM8 (0.55) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL27530411 0.88 GRM8 (0.50) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL27530416 0.88 GRM8 (0.50) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL27556857 0.86 GRM8 (0.50) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL27556859 0.86 GRM8 (0.50) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL7780743 0.85 KMT2A (0.52) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL28744359 0.85 GRM8 (0.49) GRM8GRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL28744362 0.85 GRM8 (0.49) GRM8GRM4ALDH1A1SMN1; SMN2HPGD

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
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed