SCHEMBL9853625

SCHEMBL9853625

C/C=C/c1nc2cccnc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.52
AGTR1 P30556 2/20 0.51
AGTR2 P50052 2/20 0.51

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
SCHEMBL9853632 1.00 PPARG (0.52) PPARGAGTR1AGTR2
SCHEMBL9853634 0.90 PPARG (0.52) PPARGAGTR1AGTR2
SCHEMBL9853630 0.90 PPARG (0.52) PPARGAGTR1AGTR2
SCHEMBL8972063 0.85 AGTR1 (0.68) PPARGAGTR1AGTR2
SCHEMBL9312153 0.85 AGTR1 (0.68) PPARGAGTR1AGTR2
SCHEMBL9853648 0.81 PPARG (0.74) PPARGAGTR1AGTR2
SCHEMBL7851373 0.80 AGTR1 (0.75) PPARGAGTR1AGTR2
SCHEMBL683753 0.78 AGTR1 (0.50) PPARGAGTR1AGTR2
SCHEMBL9853674 0.78 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9853669 0.78 AGTR1 (0.49) 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
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP claimed
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed