SCHEMBL9040419

SCHEMBL9040419

Cc1nc2ccccc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MMP3 P08254 1/20 0.51
MMP7 P09237 1/20 0.51
MMP10 P09238 1/20 0.51
MMP8 P22894 1/20 0.51
MMP12 P39900 1/20 0.51
TNF P01375 1/20 0.51
GALR3 O60755 2/20 0.51
NR2F2 P24468 2/20 0.51
RAB9A P51151 1/20 0.51
GRM2 Q14416 1/20 0.49
EDNRA P25101 1/20 0.49
AGTR1 P30556 2/20 0.47
AGTR2 P50052 2/20 0.47
PTAFR P25105 1/20 0.47
PPARG P37231 3/20 0.46
HRH3 Q9Y5N1 3/20 0.45
DRD2 P14416 1/20 0.45
TBXA2R P21731 1/20 0.45

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
SCHEMBL9042213 0.91 PPARG (0.47) MMP3MMP7MMP10MMP8MMP12
SCHEMBL9043441 0.90 TP53 (0.56) AGTR2PPARGHRH3DRD2TBXA2R
SCHEMBL9039784 0.90 PPARG (0.46) MMP3MMP7MMP10MMP8MMP12
SCHEMBL9041469 0.89 PPARG (0.52) RAB9AAGTR1AGTR2PPARGTBXA2R
SCHEMBL9041081 0.88 ALDH1A1 (0.51) AGTR2PPARGDRD2TBXA2RHTT
SCHEMBL9043352 0.88 RAB9A (0.55) RAB9AEDNRAAGTR1AGTR2PPARG
SCHEMBL9040689 0.87 TNF (0.59) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL9040518 0.87 MMP7 (0.53) HDAC1HDAC6MMP7MMP8MMP12
SCHEMBL9042214 0.87 HDAC1 (0.54) HDAC1HDAC6MMP3MMP7MMP10
SCHEMBL9042322 0.87 KDM4E (0.66) RAB9ADRD2TBXA2RMEN1HTT

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