SCHEMBL6019429

SCHEMBL6019429

Cc1nc2ccc(Br)cc2n1COCC[Si](C)(C)C.c1cc2ccc1CO2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.33
BRD4 O60885 2/20 0.33
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AKR1B10 O60218 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
FABP4 P15090 1/20 0.30

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
SCHEMBL2144844 0.88 GALR3 (0.40) DGAT1BRD4GALR3NR2F2LMNA
SCHEMBL29835911 0.88 GALR3 (0.40) DGAT1BRD4GALR3NR2F2LMNA
Dimethylamine SCHEMBL15212871 0.85 GALR3 (0.38) DGAT1BRD4GALR3NR2F2LMNA
SCHEMBL13122602 0.79 TDP1 (0.41) DGAT1BRD4GALR3NR2F2LMNA
SCHEMBL29985422 0.74 KDM4E (0.45) BRD4LMNAMAPTHSD17B10NPC1
SCHEMBL637860 0.73 BRD4 (0.39) BRD4GALR3NR2F2HSD17B10NPC1
SCHEMBL31709932 0.73 TSHR (0.46) DGAT1LMNAMAPTTSHRHSD17B10
SCHEMBL29991937 0.73 ATM (0.47) MAPTHSD17B10AKR1B10NPC1POLB
SCHEMBL10004078 0.73 DGAT1 (0.39) DGAT1LMNAMAPTTSHRHSD17B10
SCHEMBL3297924 0.72 DGAT1 (0.36) DGAT1LMNAMAPTTSHRHSD17B10

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-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 WO disclosed