SCHEMBL9778259

SCHEMBL9778259

CC(=NO)c1ccc2c(c1)Sc1cc(Cl)ccc1O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.42
AHR P35869 2/20 0.39
CASP3 P42574 1/20 0.36
GFER P55789 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CYP2C19 P33261 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CA9 Q16790 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL9778256 1.00 POLB (0.46) POLBMAPTKMT2ALMNAMEN1
SCHEMBL9778251 0.85 POLB (0.46) POLBMAPTKMT2ALMNACASP3
SCHEMBL9778255 0.85 POLB (0.46) POLBMAPTKMT2ALMNACASP3
SCHEMBL9508175 0.80 AHR (0.58) AHR
SCHEMBL2388536 0.75 GFER (0.46) POLBMAPTKMT2ALMNAMEN1
SCHEMBL2388531 0.75 GFER (0.46) POLBMAPTKMT2ALMNAMEN1
SCHEMBL11827973 0.74 BCHE (0.37) AHR
SCHEMBL23024872 0.72 AHR (0.48) AHRHPGD
SCHEMBL5358787 0.72 MAPT (0.46) POLBMAPTKMT2ALMNAMEN1
SCHEMBL265248 0.70 LMNA (0.57) POLBMAPTKMT2ALMNAMEN1

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-5036067-A Enzyme inhibotors MERCK & CO., INC. (US) 1991-07-30 US disclosed