SCHEMBL4582585

SCHEMBL4582585

Cc1n[nH]c(=O)c(-c2ccccc2F)c1-c1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.37
NOTUM Q6P988 1/20 0.36
HSP90AA1 P07900 1/20 0.36
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
PTGS1 P23219 1/20 0.35
APEX1 P27695 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1I2 O75469 3/20 0.34
CASR P41180 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ALPL P05186 1/20 0.32

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
SCHEMBL4583334 0.87 NOTUM (0.38) NOTUMHSP90AA1NPSR1L3MBTL1LMNA
SCHEMBL4582299 0.81 NPSR1 (0.37) NPSR1L3MBTL1
SCHEMBL2353154 0.80 APEX1 (0.44) NOTUMHSP90AA1PTGS1APEX1SMN1; SMN2
SCHEMBL4582481 0.79 NPSR1 (0.36) NPSR1L3MBTL1TDP1KMT2A
SCHEMBL4582132 0.79 DRD1 (0.34) NPSR1L3MBTL1
SCHEMBL4582968 0.78 USP1 (0.33)
SCHEMBL4608946 0.77 TYMP (0.46) NPSR1L3MBTL1SMN1; SMN2LMNATDP1
SCHEMBL4582691 0.75 IKBKE (0.45) NOTUMNPSR1L3MBTL1SMN1; SMN2LMNA
SCHEMBL4584726 0.71 TYMP (0.45) NOTUMHSP90AA1L3MBTL1SMN1; SMN2LMNA
SCHEMBL2347368 0.70 CYP11B1 (0.39) NOTUMAPEX1L3MBTL1SMN1; SMN2LMNA

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-1972623-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-09-24 EP disclosed