SCHEMBL7904722

SCHEMBL7904722

COc1ccc(CCNC(=S)NC2=CC[CH]C=C2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
KMT2A Q03164 6/20 0.55
MEN1 O00255 4/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46

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
SCHEMBL7637941 0.83 GAA (0.48) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL7594773 0.79 MAPT (0.52) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL7599729 0.79 RAB9A (0.51) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL7641142 0.77 NPC1 (0.58) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL7642827 0.77 ALDH1A1 (0.53) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL22289851 0.75 MAPT (0.74) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL7915018 0.75 LMNA (0.48) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL7661828 0.74 TACR1 (0.39) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL22274806 0.73 MAPT (0.71) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL6815484 0.73 MAPT (0.71) MAPTKMT2AMEN1LMNAMAPK1

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
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed