SCHEMBL2744940

SCHEMBL2744940

O=C(Cc1cc(-c2cccs2)sc1-c1cccs1)OCC1CC2C=CC1C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.34
HDAC2 Q92769 15/20 0.34
HDAC3 O15379 13/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10100088 0.85 KDM4E (0.36) HDAC1HDAC2HDAC3KDM4EMAPT
SCHEMBL14319040 0.80 HDAC1 (0.36) HDAC1HDAC2HDAC3KDM4EMAPT
SCHEMBL2745097 0.79 IKBKB (0.32) MAPTALDH1A1
SCHEMBL10100090 0.78 KDM4E (0.32) HDAC1HDAC2HDAC3KDM4EMAPT
SCHEMBL10100092 0.77 KDM4E (0.34) HDAC1HDAC2HDAC3KDM4EMAPT
SCHEMBL14002025 0.76 ALDH1A1 (0.41) HDAC1HDAC2HDAC3KDM4EMAPT
SCHEMBL350856 0.76 ALDH1A1 (0.44) HDAC1HDAC2HDAC3KDM4EMAPT
SCHEMBL5051587 0.71 KDM4E (0.40) HDAC1KDM4EMAPTNPC1ALDH1A1
SCHEMBL10100102 0.71
SCHEMBL32688517 0.71 ALDH1A1 (0.44) MAPTNPC1ALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196078-A1 CONJUGATED POLYMER FIBER, PREPARATION AND USE THEREOF SOTZING GREGORY A (US) 2012-08-02 US disclosed
US-20120196078-A1 CONJUGATED POLYMER FIBER, PREPARATION AND USE THEREOF SOTZING GREGORY A (US) 2012-08-02 US disclosed
US-20120196078-A1 CONJUGATED POLYMER FIBER, PREPARATION AND USE THEREOF SOTZING GREGORY A (US) 2012-08-02 US disclosed
US-8178629-B2 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT (US) 2012-05-15 US disclosed
US-8178629-B2 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT (US) 2012-05-15 US disclosed
US-8178629-B2 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT (US) 2012-05-15 US disclosed
US-20070089845-A1 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT 2007-04-26 US disclosed
US-20070089845-A1 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT 2007-04-26 US disclosed
US-20070089845-A1 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT 2007-04-26 US disclosed
WO-2006084088-A1 CONJUGATED POLYMER FIBER, PREPARATION AND USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2006-08-10 WO disclosed