SCHEMBL6930944

SCHEMBL6930944

CCNC(=S)c1sc2nc(C)nc(-c3cccc(OC)c3)c2c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
LHCGR P22888 3/20 0.50
TSHR P16473 1/20 0.50
CHRM4 P08173 2/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 4/20 0.41
RXFP1 Q9HBX9 3/20 0.41
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6427027 0.86 BRAF (0.51) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4432076 0.86 LHCGR (0.50) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4419271 0.86 LHCGR (0.53) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL6216817 0.77 ALDH1A1 (0.48) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL6217543 0.76 SMN1; SMN2 (0.44) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4331233 0.76 LHCGR (0.77) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL6216364 0.76 ABCG2 (0.45) CHRM4MEN1KMT2ANPC1RAB9A
SCHEMBL5025998 0.76 BRAF (0.46) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL6217503 0.76 BRAF (0.42) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL6216809 0.74 MAPT (0.43) BRAFPDE4APDE4BPDE4CPDE4D

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-6569863-B1 Luteinizing hormone (LH) agonists for controlling fertility AKZO NOBEL NV (NL) 2003-05-27 US disclosed