SCHEMBL9854341

SCHEMBL9854341

CCCSc1nc2cccnc2n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.54
AGTR1 P30556 2/20 0.46
AGTR2 P50052 2/20 0.46
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 3/20 0.43
THRB P10828 2/20 0.43
TP53 P04637 4/20 0.42
MAPT P10636 2/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL9854355 0.92 PPARG (0.53) PPARGAGTR1AGTR2HPGDALDH1A1
SCHEMBL9853637 0.83 PPARG (0.74) PPARGAGTR1AGTR2LMNATP53
SCHEMBL8566073 0.83 PPARG (0.61) PPARGAGTR1AGTR2LMNATP53
SCHEMBL9851543 0.82 AGTR1 (0.66) PPARGAGTR1AGTR2ALDH1A1LMNA
SCHEMBL9854386 0.81 PPARG (0.53) PPARGAGTR1AGTR2LMNAMAPT
SCHEMBL9854319 0.80 BRD4 (0.53) PPARGAGTR1AGTR2HPGDALDH1A1
SCHEMBL9854371 0.80 AGTR1 (0.51) AGTR1AGTR2HPGDALDH1A1ATM
SCHEMBL9854307 0.77 PPARG (0.49) PPARGAGTR1AGTR2LMNA
SCHEMBL7017844 0.77 PPARG (0.48) PPARGAGTR1AGTR2
SCHEMBL9854316 0.77 PPARG (0.47) PPARGAGTR1AGTR2HPGDALDH1A1

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-0426021-A1 Condensed imidazole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-08 EP disclosed