SCHEMBL10443370

SCHEMBL10443370

CCC(C)Cc1nc2ccccc2n1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.57
RAB9A P51151 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 3/20 0.53
TP53 P04637 4/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
AGTR1 P30556 3/20 0.51
AGTR2 P50052 3/20 0.51
PDE6D O43924 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALDH2 P05091 1/20 0.50
ALDH3A1 P30838 1/20 0.50

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
SCHEMBL10443367 0.89 TP53 (0.54) PPARGMEN1KMT2ALMNATP53
SCHEMBL9042371 0.85 PPARG (0.74) PPARGAGTR1AGTR2
SCHEMBL9042376 0.82 PPARG (0.55) PPARGRAB9AAGTR1AGTR2
SCHEMBL15568414 0.80 MEN1 (0.76) RAB9AMEN1KMT2ALMNATP53
SCHEMBL10443463 0.80 ALOX5AP (0.56) PPARGRAB9AMEN1KMT2ATP53
SCHEMBL8395183 0.78 PPARG (0.57) PPARGAGTR1AGTR2
SCHEMBL10443616 0.78 MEN1 (0.57) PPARGRAB9AMEN1KMT2ALMNA
SCHEMBL9043218 0.78 PPARG (0.49) PPARGRAB9AAGTR1AGTR2
SCHEMBL13508736 0.76 ALOX5AP (0.66) RAB9AMEN1KMT2ALMNATP53
SCHEMBL9683115 0.76 TBXA2R (0.63) RAB9AMEN1KMT2ALMNATP53

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-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed