SCHEMBL16656343

SCHEMBL16656343

O=C=Nc1ccc(-n2c(=O)n(-c3ccc(N=C=O)cc3)c(=O)n(-c3ccc(N=C=O)cc3)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.40
TRPA1 O75762 1/20 0.38
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
NTRK1 P04629 1/20 0.30
IGF1R P08069 1/20 0.30
FGFR1 P11362 1/20 0.30
NTRK3 Q16288 1/20 0.30
NTRK2 Q16620 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
SCHEMBL23509675 0.91 GSK3A (0.42) CYP3A4TSHRMAPK1TDP1CYP1A2
SCHEMBL15692607 0.89 CYP3A4 (0.69) CYP3A4TSHRMAPK1TDP1CYP1A2
SCHEMBL24999153 0.86 MGLL (0.42) CYP3A4TSHRMAPK1TDP1CYP1A2
SCHEMBL16656195 0.83 CYP3A4 (0.36) CYP3A4TSHRMAPK1TDP1CYP1A2
SCHEMBL12446977 0.80 CYP3A4 (0.56) CYP3A4TSHRCYP1A2
SCHEMBL15430 0.78 CYP3A4 (0.70) CYP3A4TSHRMAPK1TDP1CYP1A2
SCHEMBL16405994 0.78 CYP3A4 (0.53) CYP3A4TSHRTDP1CYP1A2GSK3A
SCHEMBL24404758 0.76 MAPK1 (0.40) CYP3A4TSHRMAPK1TDP1CYP1A2
Water SCHEMBL28889229 0.75 CYP3A4 (0.67) CYP3A4TSHRMAPK1TDP1CYP1A2
SCHEMBL27741428 0.75 CYP3A4 (0.67) CYP3A4TSHRMAPK1TDP1CYP1A2

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-4122930-A1 PHOTOELECRIC CONVERSION ELEMENT AND PHOTOELECRIC CONVERSION DEVICE COMPRISING SAID PHOTOELECRIC CONVERSION ELEMENT Canon Kabushiki Kaisha (JP) 2023-01-25 EP disclosed
CN-112812715-A Flame-retardant pressure-sensitive adhesive 德莎欧洲股份公司 2021-05-18 CN disclosed
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed