SCHEMBL2878445

SCHEMBL2878445

CCc1sc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)nc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.42
AGTR2 P50052 10/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2876307 0.93 AGTR1 (0.43) AGTR1AGTR2MEN1KMT2APTGDR2
SCHEMBL9295853 0.82 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8833589 0.79 HDAC6 (0.43) AGTR1AGTR2MEN1KMT2APTGDR2
SCHEMBL9296134 0.79 SCD (0.43) AGTR1AGTR2
SCHEMBL8833726 0.78 SMN1; SMN2 (0.38) AGTR1AGTR2MEN1KMT2APDE4A
Hydrochloric Acid SCHEMBL8833684 0.77 SMN1; SMN2 (0.38) AGTR1AGTR2MEN1KMT2APDE4A
SCHEMBL8833266 0.77 MEN1 (0.39) AGTR1AGTR2MEN1KMT2APTGDR2
Hydrochloric Acid SCHEMBL8833923 0.75 ROCK1 (0.39) AGTR1AGTR2PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL9590632 0.75 AGTR1 (0.73) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL8833808 0.73 MEN1 (0.41) AGTR1AGTR2MEN1KMT2APTGDR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010012793-A1 FUNGICIDE AMINOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-04 WO claimed
WO-2010012793-A1 FUNGICIDE AMINOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-04 WO disclosed
EP-0656355-A1 BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-06-07 EP disclosed