SCHEMBL901136

SCHEMBL901136

CN1CCC(OC(c2cccc(SCCCC(=O)NC(=N)N)c2)c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL900583 0.88 DRD3 (0.36) LMNAMAPK1KMT2AALDH1A1
SCHEMBL12474382 0.88 DRD3 (0.36) LMNAMAPK1KMT2AALDH1A1
SCHEMBL12474403 0.87 DRD3 (0.35) LMNAMAPK1KMT2AALDH1A1
SCHEMBL2720604 0.87 DRD3 (0.37) LMNASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL2721847 0.86 MAPK1 (0.38) LMNASMN1; SMN2MAPK1
SCHEMBL2720193 0.85 DRD3 (0.42) LMNAMAPTMAPK1KMT2AALDH1A1
SCHEMBL900530 0.85 TSHR (0.38) LMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL2721762 0.85 DRD3 (0.41) LMNASMN1; SMN2MAPK1KMT2AALDH1A1
SCHEMBL900461 0.85 DRD3 (0.44) LMNASMN1; SMN2MAPK1
SCHEMBL2721698 0.84 DRD3 (0.40) LMNAMAPTMAPK1KMT2AALDH1A1

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-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 WO disclosed