SCHEMBL6766613

SCHEMBL6766613

Cc1sc[n+](CC(=O)c2cc3c(C)cccc3s2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 11/20 0.47
KMT2A Q03164 1/20 0.47
PLAU P00749 1/20 0.46
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
POLB P06746 1/20 0.34
F9 P00740 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL6772222 0.77 KMT2A (0.51) KMT2AMAPT
SCHEMBL6335838 0.76 SLC9A1 (0.58) SLC9A1PLAUHDAC3HDAC4HDAC1
SCHEMBL5071121 0.75 HSD11B1 (0.50) KMT2AMAPT
SCHEMBL6329507 0.74 SLC9A1 (0.57) SLC9A1PLAUHDAC3HDAC4HDAC1
Bromide SCHEMBL3853747 0.74 KMT2A (0.51) KMT2APOLBMAPT
SCHEMBL5015364 0.73 KMT2A (0.56) KMT2APOLB
Bromide SCHEMBL8078699 0.72 KMT2A (0.58) KMT2APOLB
Bromide SCHEMBL3846481 0.72 KMT2A (0.58) KMT2APOLB
Bromide SCHEMBL8078695 0.71 KMT2A (0.57) KMT2APOLB
SCHEMBL29513087 0.71 SLC9A1 (0.63) SLC9A1KMT2APLAUHDAC3HDAC4

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-6790859-B2 THERAPY OR REDUCING PROGRESSION OF HYPERTENSION OR DAMAGE TO A TISSUE CAUSED BY CONTACT WITH ELEVATED LEVELS OF REDUCING SUGARS IN AN ANIMAL, COMPRISING ADMINISTERING TO THE ANIMAL AN EFFECTIVE AMOUNT OF THIAZOLIUM COMPOUNDS ALTEON INCORPORATED 2004-09-14 US claimed