SCHEMBL6131645

SCHEMBL6131645

CC(C)(C)c1ccc(Nc2ccc(-c3ccc(Nc4ccc(C(C)(C)C)cc4)cc3-c3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
KIF11 P52732 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DHODH Q02127 2/20 0.36
THRB P10828 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
SERPINE1 P05121 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL4629995 0.97 APP (0.48) APPKIF11RAPGEF4XDHSLC22A12
SCHEMBL1086767 0.85 RAPGEF4 (0.54) APPRAPGEF4
SCHEMBL28801068 0.83 RAPGEF4 (0.44) APPKIF11RAPGEF4MEN1KMT2A
SCHEMBL10002565 0.82 APP (0.55) APPRAPGEF4MEN1KMT2A
SCHEMBL6131646 0.81 AKR1C3 (0.39) APPKIF11RAPGEF4XDHSLC22A12
SCHEMBL4629998 0.80 AKR1C3 (0.36) APPKIF11XDHSLC22A12AKR1C3
SCHEMBL27650113 0.80 MAPT (0.50) APPKIF11XDHSLC22A12MEN1
SCHEMBL28468095 0.79 ALDH1A1 (0.52) APPMEN1KMT2A
SCHEMBL4311216 0.77 APP (0.49) APPMEN1KMT2A
SCHEMBL4823761 0.76 HPGD (0.39) MEN1KMT2ASERPINE1

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
US-6956095-B2 Process for producing aryl—aryl coupled compounds COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2005-10-18 US disclosed