SCHEMBL9853637

SCHEMBL9853637

CCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.74
AGTR1 P30556 4/20 0.65
AGTR2 P50052 4/20 0.65
LMNA P02545 3/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
ENPP2 Q13822 3/20 0.48
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL9851543 0.94 AGTR1 (0.66) PPARGAGTR1AGTR2LMNAPDE4A
SCHEMBL8566073 0.92 PPARG (0.61) PPARGAGTR1AGTR2LMNAPDE4A
SCHEMBL9200503 0.85 PPARG (1.00) PPARGAGTR1AGTR2
SCHEMBL8874596 0.85 PPARG (0.53) PPARGAGTR1AGTR2LMNAENPP2
SCHEMBL8559933 0.84 AGTR2 (0.66) PPARGAGTR1AGTR2
SCHEMBL9854341 0.83 PPARG (0.54) PPARGAGTR1AGTR2LMNAPDE4A
SCHEMBL9854386 0.83 PPARG (0.53) PPARGAGTR1AGTR2LMNAPDE4A
SCHEMBL9854355 0.83 PPARG (0.53) PPARGAGTR1AGTR2LMNATP53
SCHEMBL9851425 0.82 AGTR1 (0.56) PPARGAGTR1AGTR2LMNAPDE4A
SCHEMBL9854319 0.82 BRD4 (0.53) PPARGAGTR1AGTR2LMNATP53

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-0426021-A1 Condensed imidazole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-08 EP disclosed
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed