SCHEMBL5741299

SCHEMBL5741299

CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1.O=C(O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.67
KCNH2 Q12809 3/20 0.67
RECQL P46063 1/20 0.64
ALDH1A1 P00352 5/20 0.64
KDM4E B2RXH2 1/20 0.64
POLB P06746 2/20 0.62
SIGMAR1 Q99720 1/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
LMNA P02545 1/20 0.58
HSP90AA1 P07900 1/20 0.58
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.53
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL2747017 0.95 KCNJ1 (0.73) KCNJ1KCNH2RECQLALDH1A1KDM4E
SCHEMBL1876940 0.82 RECQL (0.72) KCNJ1KCNH2RECQLALDH1A1KDM4E
SCHEMBL2384676 0.80 RECQL (0.70) KCNJ1KCNH2RECQLALDH1A1KDM4E
SCHEMBL30643815 0.80 CYP2C19 (0.64) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL76204 0.80 CYP2C19 (0.64) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL6607225 0.79 RECQL (0.68) KCNJ1KCNH2RECQLALDH1A1KDM4E
SCHEMBL12611028 0.79 KMT2A (0.90) KCNJ1KCNH2RECQLALDH1A1KDM4E
SCHEMBL4987745 0.78 RECQL (0.67) KCNJ1KCNH2RECQLALDH1A1KDM4E
SCHEMBL1369959 0.78 CYP2C19 (0.62) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL27861234 0.78 CYP2C19 (0.62) ALDH1A1KDM4EKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
EP-1682531-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-07-26 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO disclosed
WO-2005042518-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-05-12 WO disclosed