SCHEMBL9545601

SCHEMBL9545601

O=C(O)CCCCCS(=O)(=O)Nc1cccc2cccnc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 6/20 0.67
HTT P42858 3/20 0.60
POLB P06746 1/20 0.56
HDAC6 Q9UBN7 4/20 0.54
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
FABP1 P07148 2/20 0.53
TSHR P16473 1/20 0.53
ALOX15 P16050 1/20 0.52
SLC40A1 Q9NP59 6/20 0.52
TDP1 Q9NUW8 2/20 0.52
G6PD P11413 1/20 0.52

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
SCHEMBL7189417 0.84 GLO1 (0.67) GLO1HTTALOX15SLC40A1TDP1
SCHEMBL6862349 0.84 GLO1 (0.67) GLO1HTTALOX15SLC40A1TDP1
SCHEMBL11484803 0.84 GLO1 (0.67) GLO1HTTALOX15SLC40A1TDP1
SCHEMBL11469083 0.82 GLO1 (0.69) GLO1HTTALOX15SLC40A1TDP1
SCHEMBL6860415 0.81 GLO1 (0.70) GLO1HTTALOX15SLC40A1TDP1
SCHEMBL11476142 0.81 GLO1 (0.63) GLO1HTTALOX15SLC40A1TDP1
SCHEMBL5330269 0.80 HTT (0.92) HTTPOLBHDAC6HDAC3HDAC4
SCHEMBL4831665 0.75 HTT (0.66) HTTPOLBHDAC6HDAC3HDAC4
SCHEMBL30372036 0.74 GLO1 (1.00) GLO1HTTALOX15SLC40A1TDP1
SCHEMBL6982956 0.74 GLO1 (1.00) GLO1HTTALOX15SLC40A1TDP1

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
WO-1993020094-A1 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR QUINOLINE ABBOTT LABORATORIES (US) 1993-10-14 WO disclosed