SCHEMBL8450876

SCHEMBL8450876

CCCCCCCCCCCCCCCCc1cc(C#N)c(C#N)cc1CCCCCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ALOX5 P09917 4/20 0.43
TYR P14679 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
LIPG Q9Y5X9 1/20 0.40
PTGS2 P35354 5/20 0.39
AR P10275 2/20 0.38

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
SCHEMBL2609819 1.00 TSHR (0.44) TSHRHSD17B10ALOX5TYRMEN1
SCHEMBL27902962 1.00 TSHR (0.44) TSHRHSD17B10ALOX5TYRMEN1
SCHEMBL28034496 1.00 TSHR (0.44) TSHRHSD17B10ALOX5TYRMEN1
SCHEMBL16416384 1.00 TSHR (0.44) TSHRHSD17B10ALOX5TYRMEN1
SCHEMBL6512018 0.87 TSHR (0.39) TSHRHSD17B10ALOX5TYRMEN1
SCHEMBL29467123 0.83 TYR (0.39) TSHRHSD17B10TYRALDH1A1HPGD
SCHEMBL3629719 0.79 LIPG (0.53) TSHRHSD17B10LIPG
SCHEMBL3164765 0.79 LIPG (0.53) TSHRHSD17B10LIPG
SCHEMBL6956286 0.79 LIPG (0.53) TSHRHSD17B10LIPG
SCHEMBL6685317 0.79 LIPG (0.53) TSHRHSD17B10LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942612-A Substituted phthalocyanine liquid crystal compounds SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE U.K. OF GT. BRITAIN AND N. IRELAND DEFENCE EVALUATION & RESEARCH AGENCY (GB) 1999-08-24 US disclosed
EP-0751977-B1 SUBSTITUTED PHTHALOCYANINES SECR DEFENCE (GB) 1999-04-28 EP disclosed
US-5792860-A LIQUID CRYSTAL COMPOUND OR LIQUID CRYSTAL POLYMER FOR USE ELECTROOPTICAL DEVICES, OPTICAL RECORDING MEDIA THE SECRETARY OF STATE FOR DEFENCE IN HER MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE EVAULATION RESEARCH AGENCY (GB) 1998-08-11 US disclosed
EP-0799227-A1 SUBSTITUTED PHTHALOCYANINES THE SECRETARY OF STATE FOR DEFENCE (GB) 1997-10-08 EP disclosed
EP-0751977-A1 SUBSTITUTED PHTHALOCYANINES THE SECRETARY OF STATE FOR DEFENCE (GB) 1997-01-08 EP disclosed
WO-1996019480-A1 SUBSTITUTED PHTHALOCYANINES THE SECRETARY OF STATE FOR DEFENCE (GB) 1996-06-27 WO disclosed
WO-1995026381-A1 SUBSTITUTED PHTHALOCYANINES THE SECRETARY OF STATE FOR DEFENCE (GB) 1995-10-05 WO disclosed