SCHEMBL19088878

SCHEMBL19088878

Cc1c(I)oc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
EYA3 Q99504 3/20 0.44
CYP2C19 P33261 2/20 0.44
MAOA P21397 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
PGAM1 P18669 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
KCNH2 Q12809 1/20 0.41
HTT P42858 2/20 0.40
RECQL P46063 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
CHRM2 P08172 1/20 0.39

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
SCHEMBL30028309 0.76 ALDH2 (0.52) KDM4EEYA3CYP2C19MAOAALDH1A1
SCHEMBL183071 0.76 ALDH2 (0.52) KDM4EEYA3CYP2C19MAOAALDH1A1
SCHEMBL19378623 0.75 KDM4E (0.58) KDM4ECYP2C19MAOAALDH1A1HPGD
SCHEMBL12778675 0.74 KDM4E (0.57) KDM4EMAOAALDH1A1HPGDSMN1; SMN2
SCHEMBL31426203 0.73 ALDH1A1 (0.43) KDM4EEYA3CYP2C19MAOAALDH1A1
SCHEMBL4449379 0.73 KDM4E (0.46) KDM4ECYP2C19MAOAALDH1A1HPGD
SCHEMBL20657033 0.73 KDM4E (0.55) KDM4EEYA3CYP2C19MAOAALDH1A1
SCHEMBL13028651 0.73 CYP2C19 (0.51) KDM4EEYA3CYP2C19MAOAALDH1A1
SCHEMBL4741002 0.73 SMN1; SMN2 (0.48) KDM4EMAOAALDH1A1HPGDSMN1; SMN2
SCHEMBL15442574 0.73 KDM4E (0.43) KDM4EEYA3CYP2C19MAOAALDH1A1

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
CN-106748604-A A kind of method for synthesizing single iodo aromatic hydrocarbon or two iodo aromatic hydrocarbons based on aromatic carboxylic acid's decarboxylic reaction 湘潭大学 2017-05-31 CN claimed
US-20230268467-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-24 US disclosed
EP-4001287-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2022-05-25 EP disclosed
CN-106748604-B Method for synthesizing mono-iodo aromatic hydrocarbon or di-iodo aromatic hydrocarbon based on decarboxylation of aromatic carboxylic acid 湘潭大学 2020-06-05 CN disclosed
CN-107325002-B Method for synthesizing aryl halide by taking aryl carboxylic acid as raw material 南昌大学 2020-03-27 CN disclosed
WO-2017114377-A1 BENZYL HETEROCYCLIC COMPOUND DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2017-07-06 WO disclosed
CN-106748604-A A kind of method for synthesizing single iodo aromatic hydrocarbon or two iodo aromatic hydrocarbons based on aromatic carboxylic acid's decarboxylic reaction 湘潭大学 2017-05-31 CN disclosed