SCHEMBL7042791

SCHEMBL7042791

N#Cc1ccc2c3ccc(C(=O)O)c4c(C#N)ccc(c5ccc(C(=O)O)c1c25)c43

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL29958304 1.00 CYP1A2 (0.48) CYP1A2XDHSLC22A12
SCHEMBL20506657 1.00 CYP1A2 (0.48) CYP1A2XDHSLC22A12
SCHEMBL29958368 1.00 CYP1A2 (0.48) CYP1A2XDHSLC22A12
SCHEMBL28153672 0.92 CYP1A2 (0.56) CYP1A2XDHSLC22A12
SCHEMBL29362932 0.84 CYP1A2 (0.45) CYP1A2XDHSLC22A12
SCHEMBL4254845 0.84 CYP1A2 (0.45) CYP1A2XDHSLC22A12
Water SCHEMBL10822718 0.81 CYP1A2 (0.74) CYP1A2
SCHEMBL7045931 0.81 XDH (0.46) XDHSLC22A12
SCHEMBL20497196 0.79 XDH (0.40) XDHSLC22A12
SCHEMBL30141 0.79 CYP1A2 (0.78) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2707456-B1 NOVEL COLOR CONVERTERS BASF SE (DE) 2018-09-26 EP claimed
EP-0898583-B1 IMPROVEMENTS IN FLUORESCENT MATERIALS SMITH GEOFFREY BURTON (AU) 2003-04-02 EP claimed
CN-115124854-B Production method of C.I. solvent green 5 and its series derivative and intermediate 鞍山市五色石新材料科技有限公司 2024-04-26 CN disclosed
CN-115124854-A Production method of C.I. solvent green 5 and series derivatives and intermediates thereof 鞍山市五色石新材料科技有限公司 2022-09-30 CN disclosed
US-9698204-B2 Light-emitting substrate, photovoltaic cell, display device, lighting device, electronic device, organic light-emitting diode, and method of manufacturing light-emitting substrate SHARP KABUSHIKI KAISHA (JP) 2017-07-04 US disclosed
US-20160372528-A1 LIGHT-EMITTING SUBSTRATE, PHOTOVOLTAIC CELL, DISPLAY DEVICE, LIGHTING DEVICE, ELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE, AND METHOD OF MANUFACTURING LIGHT-EMITTING SUBSTRATE SHARP KABUSHIKI KAISHA (JP) 2016-12-22 US disclosed