SCHEMBL6019476

SCHEMBL6019476

C=CCC1(CC=C)c2cc(Cl)ccc2-c2ccc(Br)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.37
PGR P06401 2/20 0.36
AKR1A1 P14550 2/20 0.33
AKR1B1 P15121 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 2/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
CCR5 P51681 1/20 0.31
MDM2 Q00987 1/20 0.31
CES1 P23141 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 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
SCHEMBL1571002 0.90 PDK2 (0.38) PDK2PGRAKR1A1AKR1B1LMNA
SCHEMBL1928893 0.90 PDK2 (0.43) PDK2PGRAKR1A1AKR1B1GAA
SCHEMBL1809551 0.83 PDK2 (0.46) PDK2PGRAKR1A1AKR1B1L3MBTL1
SCHEMBL1928517 0.81 PDK2 (0.33) PDK2
SCHEMBL14422055 0.81 PDK2 (0.33) PDK2
SCHEMBL20100976 0.81 PDK2 (0.33) PDK2LMNAHPGDCES1
SCHEMBL26084831 0.81 PDK2 (0.34) PDK2AKR1A1AKR1B1
SCHEMBL20542581 0.79 PDK2 (0.40) PDK2PGRAKR1A1AKR1B1CCR5
SCHEMBL15820873 0.76 PDK2 (0.38) PDK2AKR1A1AKR1B1NPC1CES1
SCHEMBL1926884 0.76 TGM2 (0.35) PGRTSHRLMNAHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138483-B2 Monomers, conjugated polymers and electronic devices using such polymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-11-21 US disclosed
US-20040192871-A1 Monomers, conjugated polymers and electronic devices using such polymers E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 US disclosed
WO-2004072123-A2 MONOMERS, CONJUGATED POLYMERS AND ELECTRONIC DEVICES USING SUCH POLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-08-26 WO disclosed