SCHEMBL17124138

SCHEMBL17124138

c1ccc(-c2ccc(-c3ccc4c(c3)c3cccnc3n4-c3ccc4ccc5cccnc5c4n3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 1/20 0.38
CCR1 P32246 5/20 0.37
CCR8 P51685 5/20 0.37
LMNA P02545 3/20 0.37
CCR5 P51681 3/20 0.37
MMP2 P08253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
MMP8 P22894 1/20 0.37
THPO P40225 1/20 0.37

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
SCHEMBL17124112 1.00 TSHR (0.38) TSHRALDH1A1CYP2C19CCR1CCR8
SCHEMBL17124077 0.94 TSHR (0.36) TSHRALDH1A1CYP2C19CCR1CCR8
SCHEMBL17124082 0.93 TSHR (0.41) TSHRALDH1A1CYP2C19CCR1CCR8
SCHEMBL17124139 0.93 TSHR (0.36) TSHRALDH1A1CYP2C19CCR1CCR8
SCHEMBL17124075 0.91 DHODH (0.34) TSHRALDH1A1CCR1CCR8LMNA
SCHEMBL17124086 0.89 IRAK4 (0.36) TSHRALDH1A1CYP2C19CCR1CCR8
SCHEMBL17124081 0.89 MAPT (0.36) TSHRALDH1A1CCR1CCR8LMNA
SCHEMBL17124129 0.88 CCR1 (0.37) TSHRALDH1A1CYP2C19CCR1CCR8
SCHEMBL17124128 0.87 HPGDS (0.35) TSHRALDH1A1CYP2C19CCR1CCR8
SCHEMBL17124116 0.87 CCR1 (0.34) TSHRALDH1A1CYP2C19CCR1CCR8

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
US-10290814-B2 Organic light-emitting diode LG DISPLAY CO., LTD. (KR) 2019-05-14 US disclosed
US-20150280141-A1 ORGANIC LIGHT-EMITTING DIODE LG DISPLAY CO., LTD. (KR) 2015-10-01 US disclosed
US-20150280141-A1 ORGANIC LIGHT-EMITTING DIODE LG DISPLAY CO., LTD. (KR) 2015-10-01 US disclosed