SCHEMBL9040689

SCHEMBL9040689

Cc1nc2ccccc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.59
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
GALR3 O60755 2/20 0.55
NR2F2 P24468 2/20 0.55
RAB9A P51151 1/20 0.55
GRM2 Q14416 1/20 0.52
PPARG P37231 5/20 0.52
AGTR1 P30556 2/20 0.50
AGTR2 P50052 2/20 0.50
PTAFR P25105 1/20 0.50
EDNRA P25101 1/20 0.49
PDE6D O43924 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
DRD2 P14416 1/20 0.47
TBXA2R P21731 1/20 0.47

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
SCHEMBL9040956 0.89 ALDH1A1 (0.61) PPARGPDE6DHRH3DRD2TBXA2R
SCHEMBL9041947 0.89 PPARG (0.51) PPARGAGTR1AGTR2PDE6DDRD2
SCHEMBL9040403 0.88 PPARG (0.50) PPARGAGTR1AGTR2PDE6DDRD2
SCHEMBL9040419 0.87 HDAC1 (0.52) TNFHDAC1HDAC6GALR3NR2F2
SCHEMBL9042383 0.87 PPARG (0.60) RAB9APPARGAGTR1AGTR2EDNRA
SCHEMBL9040258 0.86 SMN1; SMN2 (0.51) PPARGAGTR1AGTR2
SCHEMBL9041999 0.86 PDE6D (0.56) PPARGPDE6DDRD2TBXA2R
SCHEMBL9041160 0.86 HDAC1 (0.58) HDAC1HDAC6GRM2PPARGAGTR1
SCHEMBL9042664 0.86 ALDH1A1 (0.71) RAB9APDE6DDRD2TBXA2R
SCHEMBL9041506 0.85 PPARG (0.73) PPARGAGTR1AGTR2

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-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed