SCHEMBL2454083

SCHEMBL2454083

Brc1ccsc1.Brc1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.41
CYP2B6 P20813 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CYP2E1 P05181 1/20 0.38
HDAC1 Q13547 1/20 0.37
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
DAO P14920 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
DYRK1B Q9Y463 1/20 0.32
HSD11B1 P28845 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7276 1.00
SCHEMBL28937810 0.97
SCHEMBL27726998 0.97
SCHEMBL8307798 0.97
Ethyne SCHEMBL29270243 0.94
Cyanide SCHEMBL28198353 0.91
Thiophene SCHEMBL8134391 0.89 CYP2A6 (0.37) CYP2A6CYP2B6L3MBTL1CES2CES1
SCHEMBL910698 0.89
Ether SCHEMBL27660655 0.81 ELANE (0.35) CYP2A6L3MBTL1TAAR1CYP2C9CYP2C19
Phenol SCHEMBL27589824 0.81 TDP1 (0.48) CYP2A6CYP2B6CES2CES1CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383762-B2 Black soluble conjugated polymers with high charge carrier mobilities UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-02-26 US disclosed
US-20110251370-A1 BLACK SOLUBLE CONJUGATED POLYMERS WITH HIGH CHARGE CARRIER MOBILITIES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2011-10-13 US disclosed
EP-2364331-A2 BLACK SOLUBLE CONJUGATED POLYMERS WITH HIGH CHARGE CARRIER MOBILITIES University of Florida Research Foundation, Inc. (US) 2011-09-14 EP disclosed
WO-2010062948-A2 BLACK SOLUBLE CONJUGATED POLYMERS WITH HIGH CHARGE CARRIER MOBILITIES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-03 WO disclosed