SCHEMBL28801592

SCHEMBL28801592

CNc1ccc(C(=O)Cl)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
HCAR3 P49019 1/20 0.41
HTT P42858 3/20 0.39
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR9 Q9NR96 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CDC25B P30305 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3052008 0.79 ALDH1A1 (0.40) MAPTHTTALDH1A1MAPK1KMT2A
SCHEMBL28061957 0.79 ALDH1A1 (0.46) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL9078790 0.78 TSHR (0.44) MAPTHTTALDH1A1MAPK1NPSR1
SCHEMBL16831434 0.76 PTGER4 (0.58) MAPTHCAR3HTTALDH1A1NPC1
SCHEMBL27622467 0.73 ITGB1 (0.50) MAPTHTTALDH1A1RAB9AMAPK1
SCHEMBL28226522 0.72 ALDH1A1 (0.41) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL28315507 0.72 PDK1 (0.45) MAPTHTTALDH1A1NPC1RAB9A
SCHEMBL7440236 0.71 TSHR (0.48) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL2426533 0.71 KDM4E (0.46) MAPTHCAR3HTTALDH1A1KMT2A
SCHEMBL6491502 0.71 SMN1; SMN2 (0.45) MAPTHTTALDH1A1NPSR1KMT2A

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-102762101-A Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof HIGH POINT PHARMACEUTICALS LLC 2012-10-31 CN disclosed