SCHEMBL6006301

SCHEMBL6006301

O=C(O)C(=O)Oc1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
HPGD P15428 2/20 0.45
PKM P14618 1/20 0.45
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
ALOX15 P16050 2/20 0.44
GAA P10253 2/20 0.44

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
SCHEMBL11684240 0.91 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL8795722 0.86 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL10572642 0.85 CYP1A2 (0.51) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL10720726 0.84 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL21629502 0.83 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL8795716 0.83 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL28243468 0.83 CYP1A2 (0.49) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL27878111 0.82 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL10535907 0.81 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL20509384 0.81 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6

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
EP-1667493-B1 Organometallic complex, light-emitting solid, organic electroluminescent element and organic electroluminescent display UDC IRELAND LTD (IE) 2014-10-15 EP disclosed
CN-100546993-C Organometallic complex, light-emitting solid, organic electroluminescent device and display of organic electroluminescence FUJI PHOTO FILM CO LTD (JP) 2009-10-07 CN disclosed
EP-1667493-A1 Organometallic complex, light-emitting solid, organic electroluminescent element and organic electroluminescent display Fuji Photo Film Co., Ltd. (JP) 2006-06-07 EP disclosed
CN-1769290-A Organometallic complex, light-emitting solid, organic electroluminescent element and organic electroluminescent display FUJI PHOTO FILM CO LTD (JP) 2006-05-10 CN disclosed