SCHEMBL28116058

SCHEMBL28116058

CC(C)c1ccc(-n2cnc(Br)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
NPSR1 Q6W5P4 2/20 0.39
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
ESRRA P11474 5/20 0.35
TYR P14679 1/20 0.34
PTGS2 P35354 1/20 0.34
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
SRC P12931 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
SCHEMBL28682705 0.82 NOTUM (0.32) NOTUMALDH1A1
SCHEMBL13183655 0.80 NOTUM (0.51) NOTUMNPSR1MGLLALDH1A1L3MBTL1
SCHEMBL13160181 0.80 NOTUM (0.51) NOTUMNPSR1MGLLALDH1A1L3MBTL1
SCHEMBL3751447 0.79 MKNK1 (0.39) NPSR1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL16073029 0.79 ALDH1A1 (0.43) NOTUMNPSR1ALDH1A1NPC1RAB9A
SCHEMBL13659759 0.79 NOTUM (0.50) NOTUMNPSR1MGLLALDH1A1L3MBTL1
SCHEMBL17454042 0.78 KMT2A (0.40) ALDH1A1POLBMAPTKMT2ANPBWR1
SCHEMBL6124246 0.76 NOTUM (0.47) NOTUMNPSR1MGLLALDH1A1L3MBTL1
SCHEMBL1844349 0.76 NOTUM (0.41) NOTUMMGLLL3MBTL1NPC1RAB9A
SCHEMBL22897465 0.75 CYP1A2 (0.47) MGLLALDH1A1L3MBTL1NPC1RAB9A

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
CN-106535637-A Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto 美国陶氏益农公司 2017-03-22 CN disclosed
CN-106535634-A Molecules having certain pesticidal utility, intermediates, compositions, and methods related thereto 美国陶氏益农公司 2017-03-22 CN disclosed