SCHEMBL20097822

SCHEMBL20097822

c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-c5ccccc5-c5ccccn5)cc4c3c2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PRKDC P78527 1/20 0.35
MAPK14 Q16539 1/20 0.34
TGFBR1 P36897 1/20 0.33
GRM5 P41594 1/20 0.32
PDK2 Q15119 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
AHR P35869 1/20 0.32
METAP2 P50579 1/20 0.31
MCL1 Q07820 1/20 0.31
DHFR P00374 2/20 0.31
BRD4 O60885 2/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31

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
SCHEMBL11946077 0.98 NPY5R (0.37) NPY5RPIM1PIM3PRKDCMAPK14
SCHEMBL10123521 0.98 NPY5R (0.37) NPY5RPIM1PIM3PRKDCMAPK14
SCHEMBL18327843 0.95 GRM5 (0.38) NPY5RPIM1PIM3PRKDCMAPK14
SCHEMBL16451563 0.95 GRM5 (0.38) NPY5RPIM1PIM3PRKDCMAPK14
SCHEMBL13471347 0.95 NPY5R (0.36) NPY5RPIM1PIM3PRKDCMAPK14
SCHEMBL5030309 0.94 TGFBR1 (0.36) NPY5RPIM1PIM3PRKDCMAPK14
SCHEMBL12114616 0.94 TGFBR1 (0.36) NPY5RPIM1PIM3PRKDCMAPK14
SCHEMBL16603455 0.94 KDM4E (0.37) NPY5RPIM1PIM3PRKDCMAPK14
SCHEMBL13471317 0.94 NPC1 (0.38) NPY5RPIM1PIM3PRKDCMAPK14
SCHEMBL20097829 0.93 NPY5R (0.40) NPY5RPIM1PIM3NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9960356-B2 Organic electroluminescence device, lighting equipment and display device Konica Minolta, Inc. (JP) 2018-05-01 US disclosed
US-9960356-B2 Organic electroluminescence device, lighting equipment and display device Konica Minolta, Inc. (JP) 2018-05-01 US disclosed