SCHEMBL5820940

SCHEMBL5820940

C=CCc1c(OCC[AsH2])noc1-c1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL5618307 0.87 TP53 (0.36) PDE4BPTPN1
Hydrochloric Acid SCHEMBL8380143 0.86 TP53 (0.38)
SCHEMBL11848222 0.73 GSK3B (0.36) PDE4BPTPN1
SCHEMBL7374595 0.73 PTPN1 (0.38) PDE4BPTPN1
Hydrochloric Acid SCHEMBL8377367 0.72 TP53 (0.38)
Hydrochloric Acid SCHEMBL8377364 0.72 TP53 (0.38)
SCHEMBL5618298 0.69 MAPK1 (0.39)
Hydrochloric Acid SCHEMBL8380041 0.68 MAPK1 (0.41)
SCHEMBL5618194 0.67 S1PR1 (0.44)
Hydrochloric Acid SCHEMBL8376870 0.66 S1PR1 (0.43)

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
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed