SCHEMBL9040403

SCHEMBL9040403

O=C(O)Oc1ccccc1-c1ccc(Cn2c(Cl)nc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.50
AGTR1 P30556 1/20 0.48
AGTR2 P50052 1/20 0.48
PDE6D O43924 2/20 0.47
DRD2 P14416 2/20 0.46
TBXA2R P21731 2/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
ALDH2 P05091 1/20 0.43
ALDH3A1 P30838 1/20 0.43
NOD1 Q9Y239 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CNR2 P34972 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9041947 0.90 PPARG (0.51) PPARGAGTR1AGTR2PDE6DDRD2
SCHEMBL9040689 0.88 TNF (0.59) PPARGAGTR1AGTR2PDE6DDRD2
SCHEMBL9040956 0.88 ALDH1A1 (0.61) PPARGPDE6DDRD2TBXA2RALDH1A1
SCHEMBL9039784 0.86 PPARG (0.46) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL9042383 0.86 PPARG (0.60) PPARGAGTR1AGTR2LMNAHTT
SCHEMBL9040258 0.85 SMN1; SMN2 (0.51) PPARGAGTR1AGTR2ALDH1A1LMNA
SCHEMBL9041999 0.85 PDE6D (0.56) PPARGPDE6DDRD2TBXA2RALDH1A1
SCHEMBL9041160 0.85 HDAC1 (0.58) PPARGAGTR1AGTR2SMN1; SMN2
SCHEMBL9041506 0.84 PPARG (0.73) PPARGAGTR1AGTR2
SCHEMBL9038767 0.84 MEN1 (0.59) PPARGAGTR1AGTR2ALDH1A1LMNA

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-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed