SCHEMBL8867916

SCHEMBL8867916

CC(=N)Nc1ccc(CC[O])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
THRA P10827 3/20 0.41
THRB P10828 3/20 0.41
AOC3 Q16853 1/20 0.41
SPHK1 Q9NYA1 4/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 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
SCHEMBL8868289 0.82 SMN1; SMN2 (0.57) POLBAOC3TSHRNPC1RAB9A
SCHEMBL14445095 0.80 TSHR (0.37) POLBHRH3THRATHRBAOC3
SCHEMBL13017226 0.79 AOC3 (0.46) POLBHRH3AOC3SPHK1NPC1
Bromide SCHEMBL7202745 0.79 NOS3 (0.46) POLBAOC3
SCHEMBL8867550 0.79 POLB (0.46) POLBHRH3THRATHRBAOC3
SCHEMBL8867408 0.78 KMT2A (0.59) HRH3AOC3TSHRNPC1RAB9A
SCHEMBL10668375 0.78 TSHR (0.38) POLBHRH3THRATHRBSPHK1
SCHEMBL10668382 0.78 SRC (0.52) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL8866580 0.77 RXFP1 (0.56) POLBHRH3THRATHRBAOC3
SCHEMBL7877522 0.76 LOXL2 (0.47)

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed