SCHEMBL7733262

SCHEMBL7733262

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.53
AKR1C2 P52895 2/20 0.53
ACP3 P15309 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
GRM8 O00222 3/20 0.45
GRM6 O15303 3/20 0.45
GRM4 Q14833 3/20 0.45
GAA P10253 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL7723428 0.89 ACP3 (0.48) AKR1C3AKR1C2ACP3L3MBTL1MEN1
SCHEMBL2081866 0.87 AKR1C3 (0.67) AKR1C3AKR1C2ACP3L3MBTL1MEN1
SCHEMBL2081864 0.87 AKR1C3 (0.67) AKR1C3AKR1C2ACP3L3MBTL1MEN1
SCHEMBL7732979 0.86 LMNA (0.47) AKR1C3AKR1C2ACP3L3MBTL1MEN1
SCHEMBL4659329 0.85 AKR1C3 (0.53) AKR1C3AKR1C2ACP3L3MBTL1MEN1
SCHEMBL7734348 0.85 AKR1C3 (0.53) AKR1C3AKR1C2ACP3L3MBTL1MEN1
SCHEMBL4656943 0.83 AKR1C3 (0.51) AKR1C3AKR1C2ACP3L3MBTL1MEN1
SCHEMBL4656875 0.83 LMNA (0.54) AKR1C3AKR1C2L3MBTL1MEN1HPGD
SCHEMBL27546830 0.82 L3MBTL1 (0.49) AKR1C3AKR1C2ACP3L3MBTL1MEN1
SCHEMBL7733304 0.81 NPC1 (0.50) AKR1C3AKR1C2L3MBTL1MEN1HPGD

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