SCHEMBL16768562

SCHEMBL16768562

Nc1c(Nc2ccccc2)c2ccncc2c2cnccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.57
TDO2 P48775 10/20 0.46
RAD52 P43351 1/20 0.44
KMT2A Q03164 1/20 0.44
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
ALOX15 P16050 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL16768564 0.89 TDO2 (0.58) IDO1TDO2RAD52KMT2AMAPK1
SCHEMBL16768567 0.81 IDO1 (0.40) IDO1TDO2KDM1A
SCHEMBL16768570 0.80 TDO2 (0.48) IDO1TDO2SMN1; SMN2
SCHEMBL19534244 0.80 GAA (0.54) IDO1KMT2AALOX15GAANPC1
SCHEMBL16755955 0.73 AXL (0.50) RAD52KMT2AGAATSHRMAPK1
SCHEMBL16247573 0.73 IDO1 (1.00) IDO1TDO2
SCHEMBL16768563 0.71 IDO1 (0.39) IDO1TDO2GAA
SCHEMBL5605692 0.69 GAA (0.51) IDO1RAD52KMT2AALOX15GAA
SCHEMBL5605123 0.69 GAA (0.51) IDO1RAD52KMT2AALOX15GAA
SCHEMBL11931980 0.69 CSNK2A1 (0.70) CSNK2A2CSNK2BCSNK2A1

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
US-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed