SCHEMBL2876307

SCHEMBL2876307

CCCc1sc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)nc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.43
AGTR2 P50052 9/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL2878445 0.93 AGTR1 (0.42) AGTR1AGTR2MEN1KMT2APTGDR2
SCHEMBL9295853 0.86 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8833808 0.81 MEN1 (0.41) AGTR1AGTR2MEN1KMT2APTGDR2
SCHEMBL8833229 0.80 HDAC6 (0.42) AGTR1AGTR2MEN1KMT2APTGDR2
SCHEMBL8834100 0.79 MEN1 (0.41) AGTR1AGTR2MEN1KMT2A
SCHEMBL9296134 0.78 SCD (0.43) AGTR1AGTR2
SCHEMBL8833460 0.77 AGTR1 (0.38) AGTR1AGTR2MEN1KMT2APTGDR2
Hydrochloric Acid SCHEMBL9589520 0.76 AGTR1 (0.74) AGTR1AGTR2
SCHEMBL8833726 0.75 SMN1; SMN2 (0.38) AGTR1AGTR2MEN1KMT2A
Hydrochloric Acid SCHEMBL9702574 0.75 AGTR1 (0.45) AGTR1AGTR2

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 2 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 disclosed
EP-0656355-A1 BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-06-07 EP disclosed