SCHEMBL7716155

SCHEMBL7716155

CCC(c1ccc(Nc2nc(C)cc3ccccc23)cc1)C(Nc1c(N2C(C)CCC2C)c(=O)c1=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7716470 0.90 MAPT (0.34) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL7715514 0.89 MEN1 (0.32) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL7718447 0.83 ITGB1 (0.42)
SCHEMBL7718446 0.83 ITGB1 (0.42)
SCHEMBL7718454 0.83 ITGB1 (0.42)
SCHEMBL7718452 0.83 ITGB1 (0.42)
SCHEMBL7718437 0.80 ADRA2A (0.33) MAPTGAAKDM4EALDH1A1
SCHEMBL7716153 0.80 ELANE (0.40) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL7716457 0.80 PAK4 (0.31) CSNK2A1
SCHEMBL7716158 0.80 ELANE (0.40) MAPTMEN1KMT2ANPSR1GAA

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-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed