SCHEMBL27633159

SCHEMBL27633159

CC(=NNCC(=S)Nc1ccc(C(=O)O)cc1)c1nn(Cc2ccccc2)c(-c2ccc(C(C)(C)C)cc2)c1O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.39
NR1H4 Q96RI1 5/20 0.38
EPHX2 P34913 2/20 0.38
TRPV1 Q8NER1 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
PTGER4 P35408 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BCL2 P10415 1/20 0.36
MDM2 Q00987 1/20 0.36
MCL1 Q07820 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL1483466 0.89 TDP1 (0.45) PTGDR2NR1H4EPHX2PTGER4LMNA
SCHEMBL1483465 0.89 TDP1 (0.45) PTGDR2NR1H4EPHX2PTGER4LMNA
SCHEMBL12755594 0.89 TDP1 (0.45) PTGDR2NR1H4EPHX2PTGER4LMNA
SCHEMBL12829728 0.84 AGTR1 (0.46) NR1H4PTGER4LMNAHTTTDP1
SCHEMBL1484330 0.84 AGTR1 (0.46) NR1H4PTGER4LMNAHTTTDP1
SCHEMBL1484332 0.84 AGTR1 (0.46) NR1H4PTGER4LMNAHTTTDP1
SCHEMBL12829340 0.79 LMNA (0.43) PTGDR2LMNAHTTTDP1NPSR1
SCHEMBL12755620 0.79 AGTR1 (0.46) EGLN3LMNAHTTTDP1
SCHEMBL1483603 0.78 MAPT (0.42) NR1H4EPHX2LMNAHTTTDP1
SCHEMBL1483600 0.78 MAPT (0.42) NR1H4EPHX2LMNAHTTTDP1

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
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed