SCHEMBL21940539

SCHEMBL21940539

c1ccc2c(c1)-c1ccccc1C21c2ccsc2-c2sccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDK2 Q15119 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CES1 P23141 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ S100A4 P26447 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ DNMT1 P26358 1/20 0.32

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
SCHEMBL9927262 0.94 PTPRC (0.39) PTPRCKDM4EMEN1LMNAMAPT
SCHEMBL21939620 0.88 PDK2 (0.41) PDK2
SCHEMBL12027473 0.83 CES1 (0.38) PTPRCCES1
SCHEMBL30284924 0.81 KMT2A (0.54) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL18374553 0.81 KMT2A (0.54) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL12758148 0.80 MEN1 (0.44) PTPRCKDM4EMEN1LMNAMAPT
SCHEMBL23568056 0.80 PDK2 (0.44) PTPRCKDM4EMEN1LMNAMAPT
SCHEMBL20850164 0.80 PDK2 (0.44) PTPRCKDM4EMEN1LMNAMAPT
SCHEMBL31513486 0.80 PDK2 (0.44) PTPRCKDM4EMEN1LMNAMAPT
SCHEMBL23568673 0.80 PDK2 (0.44) PTPRCKDM4EMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11177403-B2 Perovskite solar cell KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-11-16 — — US disclosed
US-20200119206-A1 PEROVSKITE SOLAR CELL KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-04-16 — — US disclosed
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