SCHEMBL21578632

SCHEMBL21578632

CC1(C)c2ccccc2N(c2cccc(-c3ccccc3)c2)c2ccc(-c3ccc4c(c3)Sc3ccccc3N4c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.35
FAAH O00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
MGLL Q99685 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.33
MEN1 O00255 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10331697 0.91 NOX1 (0.38) HDAC6ALDH1A1ADAMTS5MEN1ADRA2A
SCHEMBL10331694 0.91 PGR (0.35) HDAC6ALDH1A1HTTADAMTS5MEN1
SCHEMBL21578526 0.89 FAAH (0.42) FAAHALDH1A1HSP90AA1PKMHTT
SCHEMBL14802989 0.89 FAAH (0.35) HDAC6FAAHMGLLMEN1ADRA2A
SCHEMBL17278644 0.89 HDAC6 (0.36) HDAC6ALDH1A1ADAMTS5MEN1ADRA2A
SCHEMBL17278579 0.89 HDAC6 (0.36) HDAC6ALDH1A1ADAMTS5MEN1ADRA2A
SCHEMBL25841052 0.89 PDK2 (0.32) FAAHALDH1A1HSP90AA1PKMHTT
SCHEMBL21578629 0.89 FAAH (0.36) FAAHALDH1A1HSP90AA1PKMHTT
SCHEMBL13557631 0.87 ALDH1A1 (0.44) FAAHALDH1A1HSP90AA1PKMHTT
SCHEMBL21578524 0.87 FAAH (0.44) HDAC6FAAHALDH1A1HSP90AA1PKM

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
US-10978642-B2 Mixture, composition and organic electronic device GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2021-04-13 US disclosed
EP-3553152-B1 MIXTURE, COMPOSITION AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MAT LTD (CN) 2021-02-17 EP disclosed
US-20200098992-A1 MIXTURE, COMPOSITION AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2020-03-26 US disclosed
US-20190355911-A1 ORGANIC MIXTURE, ORGANIC COMPOSITION, ORGANIC ELECTRONIC COMPONENT AND PREPARATION METHOD THEREFOR GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-11-21 US disclosed