SCHEMBL6233482

SCHEMBL6233482

O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 1.00
ALDH1A1 P00352 4/20 0.77
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 3/20 0.63
HPGD P15428 3/20 0.58
MAPT P10636 3/20 0.57
RAB9A P51151 3/20 0.57
KDM4E B2RXH2 2/20 0.57
NPC1 O15118 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 2/20 0.51
AKR1C3 P42330 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
IDE P14735 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
SCHEMBL6233282 0.87 ALDH1A1 (1.00) GAAALDH1A1L3MBTL1LMNAHPGD
SCHEMBL6231464 0.85 ALDH1A1 (0.77) GAAALDH1A1L3MBTL1LMNAHPGD
SCHEMBL6232212 0.83 GAA (0.71) GAAALDH1A1L3MBTL1LMNAHPGD
SCHEMBL6754962 0.82 ALDH1A1 (0.72) GAAALDH1A1LMNAHPGDRAB9A
SCHEMBL18889270 0.81 L3MBTL1 (0.69) GAAALDH1A1L3MBTL1LMNAHPGD
SCHEMBL6231088 0.81 L3MBTL1 (0.69) GAAALDH1A1L3MBTL1HPGDMAPT
SCHEMBL6254084 0.80 ALDH1A1 (0.69) GAAALDH1A1L3MBTL1LMNAHPGD
SCHEMBL6254088 0.80 ALDH1A1 (0.69) GAAALDH1A1L3MBTL1LMNAHPGD
SCHEMBL6252866 0.79 ALDH1A1 (0.68) GAAALDH1A1L3MBTL1LMNAHPGD
SCHEMBL6606228 0.78 LMNA (1.00) GAAALDH1A1L3MBTL1LMNAMAPT

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
WO-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 WO disclosed