SCHEMBL8076856

SCHEMBL8076856

Bc1ccccc1CN1CCN(c2ccc(C(=O)OC(C)(C)C)cc2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.53
▸ ALDH1A1 P00352 8/20 0.53
▸ HPGD P15428 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ GAA P10253 2/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL14067166 0.89 MAPT (0.53) MAPTALDH1A1HPGDKDM4ECYP2C9
SCHEMBL8071688 0.84 MAPT (0.53) MAPTALDH1A1HPGDKDM4ECYP2C9
SCHEMBL31616073 0.83 ALDH1A1 (0.56) MAPTALDH1A1HPGDKDM4ECYP2C9
SCHEMBL17223430 0.79 SMN1; SMN2 (0.65) MAPTALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL17302741 0.78 ALDH1A1 (0.67) MAPTALDH1A1HPGDKDM4ECYP2C9
SCHEMBL17302717 0.76 MAPT (0.69) MAPTALDH1A1HPGDKDM4ECYP2C9
SCHEMBL8073516 0.76 MAPT (0.55) MAPTALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL3963167 0.74 MEN1 (0.59) MAPTALDH1A1HPGDKDM4ECYP2C9
SCHEMBL14334514 0.74 MAPT (0.66) MAPTALDH1A1HPGDKDM4ECYP2C9
SCHEMBL102545 0.72 MAPT (0.60) MAPTALDH1A1HPGDKDM4ECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009036051-A1 BCL-2 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 — — WO disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 — — WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 — — WO disclosed
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