SCHEMBL28041255

SCHEMBL28041255

COc1ccc(OC(F)F)c(CN)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
HTR2A P28223 1/20 0.49
IDO1 P14902 2/20 0.47
ADRA2A P08913 1/20 0.45
HTR2B P41595 1/20 0.43
AOC3 Q16853 1/20 0.43
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7418739 0.83 HSD17B10 (0.45) ADRA1ATAAR1HTR2AIDO1ADRA2A
SCHEMBL7414770 0.83 HTR2A (0.49) ADRA1ATAAR1HTR2AIDO1AOC3
SCHEMBL42578 0.82 ADRA1A (0.72) ADRA1ATAAR1HTR2AIDO1ADRA2A
SCHEMBL27913813 0.81 ADRA1A (0.49) ADRA1ATAAR1HTR2AIDO1ADRA2A
SCHEMBL15716061 0.78 BACE1 (0.39) MEN1KMT2APOLB
SCHEMBL16756452 0.77 SLC6A2 (0.39) IDO1
SCHEMBL27932793 0.77 MAPT (0.63) ADRA1ATAAR1HTR2AIDO1ADRA2A
SCHEMBL15539889 0.76 KMT2A (0.46) HTR2AHTR2BHSD17B10MEN1MAPT
SCHEMBL16953984 0.75 MAPT (0.48) ADRA1AHTR2AADRA2AGAAMEN1
Hydrochloric Acid SCHEMBL15559545 0.75 KMT2A (0.45) HTR2AIDO1HTR2BHSD17B10MEN1

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
CN-104995176-A Hydantoins that modulate BACE mediated APP processing BUCK INST FOR RES ON AGING 2015-10-21 CN disclosed