SCHEMBL1688903

SCHEMBL1688903

O=c1c2cn(-c3ccccc3)nc2nc(-c2ccc(-c3cccc(F)c3)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A2 O94788 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ALDH1A3 P47895 3/20 0.42
TP53 P04637 2/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 2/20 0.39
GPR55 Q9Y2T6 2/20 0.39
CNR2 P34972 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL5612533 0.91 MAPT (0.45) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL1689243 0.91 MAPT (0.51) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL1689133 0.89 MAPT (0.58) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL5611687 0.87 MAPT (0.52) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL5611587 0.86 MAPT (0.41) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL1689094 0.86 ALDH1A1 (0.52) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL1689250 0.85 ALDH1A2 (0.44) MAPTMEN1KMT2AHSP90AA1ALDH1A2
SCHEMBL1688924 0.85 MAPT (0.43) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL5612509 0.85 MAPT (0.62) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL1689138 0.85 ALDH1A1 (0.53) MAPTMEN1KMT2AHSP90AA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP claimed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO claimed