SCHEMBL7733013

SCHEMBL7733013

CC(C(=O)Br)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
TSHR P16473 5/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
TP53 P04637 1/20 0.47
ACHE P22303 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL27474822 0.87 L3MBTL1 (0.55) ACP3L3MBTL1MEN1HPGDKMT2A
SCHEMBL307016 0.85 AKR1C3 (0.67) ACP3L3MBTL1MEN1HPGDKMT2A
SCHEMBL8582041 0.85 AKR1C3 (0.67) ACP3L3MBTL1MEN1HPGDKMT2A
SCHEMBL3992888 0.85 AKR1C3 (0.67) ACP3L3MBTL1MEN1HPGDKMT2A
SCHEMBL2407166 0.84 ALDH1A1 (0.54) ACP3L3MBTL1MEN1HPGDKMT2A
SCHEMBL10763187 0.84 TSHR (0.54) ACP3L3MBTL1MEN1HPGDKMT2A
SCHEMBL30428765 0.84 TSHR (0.54) ACP3L3MBTL1MEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL27290579 0.83 L3MBTL1 (0.55) ACP3L3MBTL1MEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL10759838 0.81 L3MBTL1 (0.53) ACP3L3MBTL1MEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL10759846 0.81 L3MBTL1 (0.53) ACP3L3MBTL1MEN1HPGDKMT2A

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-6476266-B1 Diamino compound and production process for the same CHISSO CORPORATION (JP) 2002-11-05 US disclosed