SCHEMBL28528849

SCHEMBL28528849

FC(F)(F)c1ccc2cc(Br)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.49
KIF11 P52732 10/20 0.45
NPBWR1 P48145 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
MAPT P10636 1/20 0.40
DGAT1 O75907 2/20 0.40
KCNH2 Q12809 2/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL31122113 0.77 METAP2 (0.49) METAP2KIF11NPBWR1SCN10AMAPT
SCHEMBL2972649 0.77 MAPT (0.60) METAP2KIF11NPBWR1SCN10AMAPT
SCHEMBL27278147 0.77 METAP2 (0.49) METAP2KIF11NPBWR1SCN10AMAPT
SCHEMBL20338421 0.74 DAO (0.52) METAP2
SCHEMBL30946289 0.73 KIF11 (0.63) METAP2KIF11MAPTDGAT1KCNH2
SCHEMBL20660889 0.73 KIF11 (0.63) METAP2KIF11MAPTDGAT1KCNH2
SCHEMBL23932536 0.73 METAP2 (0.45) METAP2KIF11NPBWR1SCN10AMAPT
SCHEMBL24380299 0.73 KIF11 (0.45) METAP2KIF11NPBWR1SCN10AMAPT
SCHEMBL22996064 0.73 SCN10A (0.47) METAP2KIF11NPBWR1SCN10AMAPT
SCHEMBL23964236 0.73 METAP2 (0.45) METAP2KIF11NPBWR1SCN10AMAPT

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-112251771-B Method for synthesizing C-2 bromo-indole by using electrochemical microchannel device 南京先进生物材料与过程装备研究院有限公司 2021-12-03 CN disclosed
CN-112251771-A Method for synthesizing C-2 bromo-indole by using electrochemical microchannel device 南京先进生物材料与过程装备研究院有限公司 2021-01-22 CN disclosed