SCHEMBL2945427

SCHEMBL2945427

CCCCCCN1C(=O)C2=C(c3ccc(C4(CCCCCC)CC=C(c5cccs5)S4)cc3)N(CCCCCC)C(=O)C2=C1c1ccc(C2(CCCCCC)CC=C(c3cccs3)S2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SCN9A Q15858 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 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
SCHEMBL2940193 0.98 OPRM1 (0.32) CNR2CNR1KDM4EALDH1A1GAA
SCHEMBL21669929 0.79 KDM4E (0.32) CNR2KDM4EALDH1A1GAA
SCHEMBL14723025 0.74 ALDH1A1 (0.45) CNR2CNR1KDM4EALDH1A1GAA
SCHEMBL20774909 0.74 ALDH1A1 (0.45) CNR2CNR1KDM4EALDH1A1GAA
SCHEMBL120619 0.74 ALDH1A1 (0.45) CNR2CNR1KDM4EALDH1A1GAA
SCHEMBL14816400 0.74 ALDH1A1 (0.45) CNR2CNR1KDM4EALDH1A1GAA
SCHEMBL14897890 0.74 ALDH1A1 (0.45) CNR2CNR1KDM4EALDH1A1GAA
SCHEMBL1277126 0.74 ALDH1A1 (0.45) CNR2CNR1KDM4EALDH1A1GAA
SCHEMBL12725220 0.74 ALDH1A1 (0.45) CNR2CNR1KDM4EALDH1A1GAA
SCHEMBL1277197 0.74 ALDH1A1 (0.45) CNR2CNR1KDM4EALDH1A1GAA

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
US-11974500-B2 Molecular semiconductors containing diketopyrrolopyrrole and dithioketopyrrolopyrrole chromophores for small molecule or vapor processed solar cells THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-04-30 US disclosed
US-20160301017-A1 MOLECULAR SEMICONDUCTORS CONTAINING DIKETOPYRROLOPYRROLE AND DITHIOKETOPYRROLOPYRROLE CHROMOPHORES FOR SMALL MOLECULE OR VAPOR PROCESSED SOLAR CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-10-13 US disclosed
US-20100326525-A1 MOLECULAR SEMICONDUCTORS CONTAINING DIKETOPYRROLOPYRROLE AND DITHIOKETOPYRROLOPYRROLE CHROMOPHORES FOR SMALL MOLECULE OR VAPOR PROCESSED SOLAR CELLS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2010-12-30 US disclosed