SCHEMBL7628341

SCHEMBL7628341

CC(=O)c1cccc(NC(=O)c2c(C(=O)O)cccc2[N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.67
KMT2A Q03164 7/20 0.55
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 5/20 0.55
MAPK1 P28482 3/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.52
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL16573839 0.86 POLB (0.69) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL16062757 0.83 POLB (0.65) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL12189445 0.81 POLB (0.71) POLBKMT2AALDH1A1MEN1MAPK1
SCHEMBL4445674 0.80 MEN1 (0.68) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL2021784 0.79 MEN1 (0.65) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL7822511 0.79 POLB (0.68) POLBKMT2AALDH1A1MEN1MAPK1
Hydrochloric Acid SCHEMBL2105315 0.79 MEN1 (0.67) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL15507331 0.78 TSHR (0.65) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL12700378 0.77 ALDH1A1 (0.70) POLBKMT2AALDH1A1MEN1MAPK1
SCHEMBL13610555 0.77 TSHR (0.59) POLBKMT2AALDH1A1MEN1MAPT

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
US-6444849-B1 BACTERICIDES MITSUBISHI CHEMICAL CORPORATION (JP) 2002-09-03 US disclosed