SCHEMBL18860281

SCHEMBL18860281

NNC(=O)c1ccc(C#Cc2ccc(C(=O)NN)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.61
CYP3A4 P08684 2/20 0.61
KDM5A P29375 1/20 0.61
BLM P54132 1/20 0.61
GFER P55789 1/20 0.61
PMP22 Q01453 1/20 0.61
HIF1A Q16665 1/20 0.61
MAPT P10636 6/20 0.59
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
OGG1 O15527 1/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2C19 P33261 1/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53

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
SCHEMBL343630 0.85 MPO (0.80) MPOCYP3A4KDM5ABLMGFER
SCHEMBL2678949 0.85 MPO (0.80) MPOCYP3A4KDM5ABLMGFER
SCHEMBL28188923 0.83 MPO (0.76) MPOCYP3A4KDM5ABLMGFER
SCHEMBL28134424 0.83 MPO (0.57) MPOCYP3A4KDM5ABLMGFER
SCHEMBL221653 0.83 MPO (0.57) MPOCYP3A4KDM5ABLMGFER
SCHEMBL14061851 0.82 CA12 (0.54) CA1CA2CA9
Hydrochloric Acid SCHEMBL28760542 0.81 MAOA (0.56) MPOCYP3A4KDM5ABLMGFER
SCHEMBL752600 0.78 MPO (0.70) MPOCYP3A4KDM5ABLMGFER
SCHEMBL11134828 0.78 MPO (0.70) MPOCYP3A4KDM5ABLMGFER
SCHEMBL16198925 0.77 HDAC2 (0.61) ALDH1A1KDM4ECYP2C19CA2HTT

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
EP-3171421-B1 ORGANIC LIGHT-EMITTING ELEMENT UNIV KYUSHU NAT UNIV CORP (JP) 2023-01-25 EP disclosed
US-20170163010-A1 ORGANIC LIGHT-EMITTING ELEMENT KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2017-06-08 US disclosed
EP-3171421-A1 ORGANIC LIGHT-EMITTING ELEMENT Kyushu University, National University Corporation (JP) 2017-05-24 EP disclosed