SCHEMBL1689299

SCHEMBL1689299

CC(C)c1ccc(-c2nc3nn(-c4ccccc4)cc3c(=O)n2-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
GSR P00390 1/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
POLB P06746 2/20 0.38
DHFR P00374 1/20 0.38
CCKBR P32239 1/20 0.38
PPARG P37231 1/20 0.37

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
SCHEMBL1688956 0.88 ALDH1A1 (0.43) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL1689197 0.88 ALDH1A1 (0.49) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL1689073 0.88 TP53 (0.51) CYP1A2KMT2AMEN1MAPTALDH1A1
SCHEMBL1688964 0.85 DHFR (0.40) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL1689360 0.84 TP53 (0.41) CYP1A2KMT2AMEN1MAPTALDH1A1
SCHEMBL5611868 0.83 ALDH1A1 (0.51) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL1689442 0.83 TP53 (0.40) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5611994 0.82 MAPT (0.49) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5611832 0.82 MAPT (0.50) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL1688924 0.80 MAPT (0.43) KMT2AMEN1MAPTALDH1A1TP53

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