SCHEMBL3631111

SCHEMBL3631111

O=C(CCn1cccc1)NCCS

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
HSD17B10 Q99714 1/20 0.55
HPGD P15428 3/20 0.54
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HDAC3 O15379 7/20 0.47
HDAC4 P56524 7/20 0.47
HDAC1 Q13547 7/20 0.47
HDAC7 Q8WUI4 7/20 0.47
HDAC2 Q92769 7/20 0.47
HDAC10 Q969S8 7/20 0.47
HDAC11 Q96DB2 7/20 0.47
HDAC8 Q9BY41 7/20 0.47
HDAC6 Q9UBN7 7/20 0.47
HDAC9 Q9UKV0 7/20 0.47
HDAC5 Q9UQL6 7/20 0.47
GAA P10253 1/20 0.46
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.41

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
SCHEMBL16610100 0.80 TSHR (0.53) TSHRHSD17B10HPGDMEN1KMT2A
SCHEMBL13712850 0.79 TSHR (0.52) TSHRHSD17B10HPGDMEN1KMT2A
SCHEMBL13712852 0.76 TSHR (0.50) TSHRHSD17B10HPGDMEN1KMT2A
SCHEMBL1241798 0.75 HDAC3 (0.59) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL11492453 0.74 CASP2 (0.48) TSHRHSD17B10HPGDMEN1KMT2A
SCHEMBL928881 0.73
SCHEMBL4411249 0.72 TSHR (0.51) TSHRHSD17B10HPGDMEN1KMT2A
SCHEMBL3637683 0.72 TSHR (0.46) TSHRHSD17B10HPGDMEN1KMT2A
SCHEMBL17953253 0.71 HDAC3 (0.45) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL636785 0.71

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343212-B2 Polymer coatings on medical devices Biotectix, LLC (US) 2013-01-01 US disclosed
EP-2155275-B1 POLYMER COATINGS ON MEDICAL DEVICES BIOTECTIX LLC (US) 2012-09-05 EP disclosed
US-20100312331-A1 POLYMER COATINGS ON MEDICAL DEVICES CHAMELEON BIOSURFACES LIMITED (GB) 2010-12-09 US disclosed
EP-2155275-A2 POLYMER COATINGS ON MEDICAL DEVICES Chameleon Biosurfaces Limited (GB) 2010-02-24 EP disclosed
WO-2008139200-A2 POLYMER COATINGS ON MEDICAL DEVICES CHAMELEON BIOSURFACES LIMITED (GB) 2008-11-20 WO disclosed