SCHEMBL20726239

SCHEMBL20726239

Cc1cc(I)c2oc3ccccc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.46
EYA3 Q99504 2/20 0.41
CYP2C19 P33261 1/20 0.41
MAOA P21397 3/20 0.39
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
MAOB P27338 2/20 0.38
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 2/20 0.37

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
SCHEMBL12968726 0.82 MAOB (0.47) AHREYA3CYP2C19MAOAKDM4E
SCHEMBL12799786 0.81 TTR (0.49) AHRMAOAKDM4EMEN1ALDH1A1
SCHEMBL12610079 0.81 AHR (0.49) AHREYA3CYP2C19MAOAKDM4E
SCHEMBL29819424 0.79 AHR (0.46) AHREYA3CYP2C19MAOAKDM4E
SCHEMBL12610390 0.79 AHR (0.46) AHREYA3CYP2C19MAOAKDM4E
SCHEMBL23340144 0.79 AHR (0.46) AHRMAOAKDM4EMEN1ALDH1A1
SCHEMBL30286404 0.79 AHR (0.46) AHRCYP2C19MAOAKDM4EMEN1
SCHEMBL22804159 0.79 AHR (0.54) AHRMAOAKDM4EMEN1ALDH1A1
SCHEMBL24086751 0.79 AHR (0.46) AHRCYP2C19MAOAKDM4EMEN1
SCHEMBL20858465 0.76 AHR (0.44) AHRCYP2C19MAOACYP2C9KDM4E

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
WO-2021128764-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-01 WO disclosed
WO-2020253445-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 陕西莱特光电材料股份有限公司 2020-12-24 WO disclosed
EP-3442047-A1 ORGANIC LIGHT-EMITTING DISPLAY APPARATUS Samsung Display Co., Ltd. (KR) 2019-02-13 EP disclosed