SCHEMBL14285239

SCHEMBL14285239

CCOC(=O)CSc1nc(SC)nc(-c2cccc([N+](=O)[O-])c2)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.49
ALDH1A1 P00352 6/20 0.48
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 6/20 0.47
G6PD P11413 1/20 0.47
PIM1 P11309 1/20 0.47
BACE1 P56817 1/20 0.46
KDM4E B2RXH2 5/20 0.45
MEN1 O00255 3/20 0.45
HPGD P15428 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 5/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
KLK7 P49862 1/20 0.43

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
SCHEMBL4909305 0.87 ALDH1A1 (0.48) ALDH1A1MAPTBACE1KDM4EMEN1
SCHEMBL14308658 0.85 ALDH1A1 (0.51) RXFP1ALDH1A1THRBTDP1MAPT
SCHEMBL4911250 0.81 RXFP1 (0.53) RXFP1ALDH1A1THRBTDP1MAPT
SCHEMBL4427518 0.78 MYC (0.46) RXFP1ALDH1A1THRBMAPTBACE1
SCHEMBL4419269 0.77 GRK6 (0.41) RXFP1ALDH1A1THRBMAPTBACE1
SCHEMBL4419984 0.76 MYC (0.51) RXFP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4422399 0.76 CYP1A2 (0.56) RXFP1ALDH1A1THRBMAPTMEN1
SCHEMBL27524700 0.76 MAPT (0.37) ALDH1A1THRBMAPTBACE1KDM4E
SCHEMBL4419266 0.75 BACE1 (0.41) RXFP1ALDH1A1MAPTBACE1KDM4E
SCHEMBL4419260 0.75 BACE1 (0.41) RXFP1ALDH1A1MAPTBACE1KDM4E

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-7317006-B2 Thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-01-08 US disclosed