SCHEMBL9350419

SCHEMBL9350419

CCN(C(=O)O)C(=S)Nc1ccccc1NC(=S)N(CC)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 3/20 0.56
MASP2 O00187 1/20 0.49
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 6/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL1887958 0.77 MASP2 (0.57) ABCC1MASP2L3MBTL1ALDH1A1LMNA
SCHEMBL12094958 0.75 NPC1 (0.53) MAPK1KMT2ASMN1; SMN2
SCHEMBL1421510 0.74 RAB9A (0.54) KDM4EALDH1A1LMNAKMT2AGLA
SCHEMBL19920982 0.73 CHRNB2 (0.45) KDM4EMAPK1LMNAKMT2ATSHR
SCHEMBL3226652 0.72 EGFR (0.43) ABCC1KDM4EMAPK1L3MBTL1ALDH1A1
SCHEMBL1814015 0.70 RAB9A (0.56) ALDH1A1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL11840812 0.70 HDAC3 (0.46) ABCC1MAPK1ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL11688892 0.70 MEN1 (0.60) KDM4EL3MBTL1ALDH1A1NPSR1KMT2A
SCHEMBL1808893 0.69 RIOK2 (0.45) KDM4EL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1933448 0.69 RAB9A (0.53) KDM4EMAPK1L3MBTL1ALDH1A1LMNA

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
EP-0351195-B1 Improvements in or relating to fungicides CHEMICCA LTD (NZ) 1994-09-14 EP claimed