SCHEMBL1689078

SCHEMBL1689078

Cc1ccc(-c2nc3nn(-c4ccccc4)cc3c(=O)n2-c2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
ALDH1A1 P00352 8/20 0.53
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MDM2 Q00987 1/20 0.47
AURKA O14965 1/20 0.45
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GRM1 Q13255 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.43
CNR1 P21554 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL5611521 1.00 MAPT (0.61) MAPTALDH1A1RAB9ANPSR1LMNA
SCHEMBL1688905 0.93 MAPT (0.52) MAPTALDH1A1RAB9ANPSR1LMNA
SCHEMBL1688889 0.90 MAPT (0.49) MAPTALDH1A1NPSR1CCNE1CDK2
SCHEMBL1688969 0.90 MAPT (0.49) MAPTALDH1A1AURKACCNE1CDK2
SCHEMBL5611869 0.90 MAPT (0.49) MAPTALDH1A1NPSR1CCNE1CDK2
SCHEMBL5611994 0.89 MAPT (0.49) MAPTALDH1A1RAB9ANPSR1LMNA
SCHEMBL1689317 0.89 ALDH1A1 (0.59) MAPTALDH1A1RAB9ANPSR1LMNA
SCHEMBL5611461 0.89 ALDH1A1 (0.51) MAPTALDH1A1LMNAGAAMDM2
SCHEMBL5611678 0.89 MAPT (0.52) MAPTALDH1A1NPSR1LMNAGAA
SCHEMBL5612156 0.89 ALDH1A1 (0.53) MAPTALDH1A1RAB9ANPSR1LMNA

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