SCHEMBL12957134

SCHEMBL12957134

CCCCCCCCCCCCc1cc(Br)sc1-c1nc(C)c(-c2sc(-c3sc(Br)cc3CCCCCCCCCCCC)nc2C)s1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
TYR P14679 2/20 0.32
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
ALOX5 P09917 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNH2 Q12809 1/20 0.32
GPR35 Q9HC97 5/20 0.32
TLR8 Q9NR97 1/20 0.31
KDM4E B2RXH2 3/20 0.30
ALDH1A1 P00352 3/20 0.30
HPGD P15428 2/20 0.30
USP2 O75604 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 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
SCHEMBL12957133 0.89
SCHEMBL13197210 0.86 MEN1 (0.32) MAPTTYRMEN1CYP3A4HTT
SCHEMBL12921571 0.86 MEN1 (0.32) MAPTTYRMEN1CYP3A4HTT
SCHEMBL12921574 0.86 MEN1 (0.32) MAPTTYRMEN1CYP3A4HTT
SCHEMBL10301450 0.86 ALOX5 (0.33) MAPTTYRMEN1CYP3A4HTT
SCHEMBL371666 0.86 ALOX5 (0.33) MAPTTYRMEN1CYP3A4HTT
SCHEMBL163731 0.86 ALOX5 (0.33) MAPTTYRMEN1CYP3A4HTT
SCHEMBL15940364 0.86 ALOX5 (0.33) MAPTTYRMEN1CYP3A4HTT
SCHEMBL14122782 0.86 ALOX5 (0.33) MAPTTYRMEN1CYP3A4HTT
SCHEMBL15001049 0.83 GPR35 (0.32) MAPTTYRMEN1CYP3A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2270064-A1 Organic semiconductor polymer, transistor including an organic semiconductor polymer and methods of fabricating the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-01-05 EP disclosed