SCHEMBL28060346

SCHEMBL28060346

O=C(c1ccccc1)c1ccc(I)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
AKR1C3 P42330 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9440410 0.83 SRD5A2 (0.49) SRD5A2GAAKDM4EKMT2ATP53
SCHEMBL522683 0.81 SRD5A2 (0.74) SRD5A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL27904103 0.81 SRD5A2 (0.64) SRD5A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL29350361 0.81 SRD5A2 (0.74) SRD5A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL13645117 0.81 ALDH1A1 (0.56) SRD5A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1128470 0.80 SRD5A2 (0.53) SRD5A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL20757754 0.80 AKR1C3 (0.62) SRD5A2GAAKDM4EKMT2AMEN1
SCHEMBL11215990 0.80 MEN1 (0.68) SRD5A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL28714550 0.80 KDM4E (0.68) SRD5A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL11351832 0.80 GAA (0.68) GAAKDM4EKMT2AMEN1USP2

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
CN-103814019-B The recovery method of ring type polyphenylene ether ether one compositions and employ the manufacture method of polyphenylene ether ether ketone of this recovery method TORAY INDUSTRIES, INC. (JP) 2016-03-30 CN disclosed