SCHEMBL8080901

SCHEMBL8080901

CC(Oc1ccc([N+](=O)[O-])cc1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
KCNJ1 P48048 1/20 0.49
HTT P42858 3/20 0.48
CYP1B1 Q16678 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
AVPR1A P37288 1/20 0.46
RAB9A P51151 2/20 0.46
AKR1C3 P42330 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PHGDH O43175 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 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
SCHEMBL6298943 0.82 CTDSP1 (0.49) MAPTALDH1A1SMN1; SMN2LMNAKCNJ1
SCHEMBL2085614 0.80 MAPT (0.62) MAPTALDH1A1SMN1; SMN2LMNAKCNJ1
SCHEMBL10510698 0.80 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAKCNJ1
SCHEMBL2634918 0.78 MEN1 (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4494684 0.78 L3MBTL1 (0.48) ALDH1A1LMNAHTTCYP1B1MEN1
SCHEMBL9476335 0.77 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAKCNJ1
SCHEMBL4778707 0.75 KMT2A (0.67) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL9320810 0.75 MEN1 (0.54) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2228938 0.74 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL24994429 0.74 ALDH1A1 (0.62) MAPTALDH1A1SMN1; SMN2LMNAKCNJ1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330050-B1 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 2000-08-23 EP disclosed
US-6002007-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 1999-12-14 US disclosed
US-5879953-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 US disclosed
US-5783696-A Special chemiluminescent acridine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0602524-A1 Chemiluminescence marked sequences and their use in sequence testing HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
EP-0330050-A2 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-30 EP disclosed