SCHEMBL19954012

SCHEMBL19954012

Cc1cccc2c1-c1c(I)cccc1C2(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.35
PDK2 Q15119 3/20 0.35
HTR2A P28223 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
LCK P06239 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP2 O95551 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
SCHEMBL19141396 0.82 CD44 (0.34) CD44PDK2HTR2AALDH1A1
SCHEMBL21730837 0.81 PDK2 (0.44) CD44PDK2CA1CA2CA7
SCHEMBL28424455 0.78 PDK2 (0.34) PDK2CA1CA2CA7CA9
SCHEMBL20690975 0.78 PDK2 (0.35) CD44PDK2CYP1A2NPSR1
SCHEMBL3395495 0.78 CYP2A6 (0.43) CD44CA1CA2CA7CA9
SCHEMBL29466012 0.76 HTR2A (0.38) PDK2HTR2AHTR2B
SCHEMBL18466445 0.76 HTR2A (0.38) PDK2HTR2AHTR2B
SCHEMBL30892165 0.73 TYMS (0.31) TDP2
SCHEMBL1031388 0.73 PDK2 (0.43) CD44PDK2HTR2ACA1CA2
SCHEMBL19113478 0.73 PDK2 (0.56) CD44PDK2HTR2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763750-B1 POLYMER, MONOMER, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEMICAL LTD (KR) 2023-07-19 EP disclosed
EP-3763750-A1 POLYMER, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2021-01-13 EP disclosed
WO-2020036459-A1 POLYMER, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-20 WO disclosed
US-9917262-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-13 US disclosed