SCHEMBL13070643

SCHEMBL13070643

CCc1ccc2c(c1)N(C)c1ccc(C(C)C)cc1S2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
NOX1 Q9Y5S8 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
MAOA P21397 1/20 0.38
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SNCA P37840 3/20 0.34

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
SCHEMBL2706164 0.87 NOX1 (0.46) NOX1L3MBTL1MEN1KMT2AADRA2A
SCHEMBL23775819 0.83 NOX1 (0.47) NOX1L3MBTL1MEN1KMT2AADRA2A
SCHEMBL11327462 0.82 NOX1 (0.38) NOX1L3MBTL1MEN1KMT2AADRA2A
SCHEMBL2756479 0.81 NOX1 (0.42) NOX1L3MBTL1MEN1KMT2AADRA2A
SCHEMBL19071936 0.80 NOX1 (0.47) CYP2D6NOX1L3MBTL1MEN1KMT2A
SCHEMBL629086 0.79 MAOA (0.63) CYP2D6NOX1L3MBTL1MEN1KMT2A
SCHEMBL2756738 0.78 NOX1 (0.42) NOX1L3MBTL1MEN1KMT2AADRA2A
SCHEMBL13888145 0.76 MAOA (0.63) CYP2D6NOX1L3MBTL1MEN1KMT2A
SCHEMBL1102432 0.76 MAOA (0.63) CYP2D6NOX1L3MBTL1MEN1KMT2A
SCHEMBL2739325 0.75 SNCA (0.59) CYP2D6NOX1L3MBTL1MEN1KMT2A

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
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed