SCHEMBL10198474

SCHEMBL10198474

Nc1ccc(NC(=O)CCc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.77
HTT P42858 1/20 0.77
RAB9A P51151 1/20 0.70
TSHR P16473 1/20 0.68
LMNA P02545 1/20 0.67
GAA P10253 2/20 0.66
HDAC3 O15379 3/20 0.64
HDAC1 Q13547 3/20 0.64
HDAC2 Q92769 3/20 0.64
HDAC4 P56524 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
MLYCD O95822 1/20 0.61

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
SCHEMBL3061430 0.88 MAPT (1.00) MAPTHTTRAB9ATSHRLMNA
Hydrochloric Acid SCHEMBL27689202 0.86 MAPT (0.96) MAPTHTTRAB9ATSHRLMNA
SCHEMBL5879632 0.85 MAPT (0.75) MAPTHTTRAB9ATSHRLMNA
SCHEMBL11705109 0.85 TRPV1 (0.82) MAPTHTTRAB9ATSHRLMNA
SCHEMBL13356363 0.85 MAPT (0.80) MAPTHTTRAB9ATSHRLMNA
SCHEMBL27671467 0.85 MAPT (0.86) MAPTHTTRAB9ATSHRLMNA
Methyl Alcohol SCHEMBL4593446 0.84 MAPT (0.93) MAPTHTTRAB9ATSHRLMNA
SCHEMBL6961827 0.84 KDM1A (0.68) MAPTHTTRAB9AHDAC3HDAC1
SCHEMBL3678030 0.83 MAPT (0.77) MAPTHTTRAB9ATSHRLMNA
SCHEMBL1471759 0.83 MAPT (0.77) MAPTHTTRAB9ATSHRLMNA

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
EP-1545613-B9 AURISTATIN CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE SEATTLE GENETICS INC (US) 2012-01-25 EP disclosed
EP-1545613-B1 AURISTATIN CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE SEATTLE GENETICS INC (US) 2011-07-20 EP disclosed