SCHEMBL21119922

SCHEMBL21119922

c1cnc2c(c1)ccc1ccc(-c3ccc(-c4cc5ccc6sc7ccccc7c6c5c5ccccc45)c4ccccc34)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.36
CCR8 P51685 5/20 0.36
LMNA P02545 4/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
CCR5 P51681 3/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP2 P08253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MMP9 P14780 1/20 0.36
NFKB1 P19838 1/20 0.36
MMP8 P22894 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
SCHEMBL21119975 0.97 CCR1 (0.34) CCR1CCR8LMNAKDM4EMAPT
SCHEMBL21119763 0.97 LMNA (0.36) CCR1CCR8LMNAKDM4EMAPT
SCHEMBL21119991 0.88 CCR1 (0.36) CCR1CCR8LMNAKDM4EMAPT
SCHEMBL21119759 0.88 CCR1 (0.36) CCR1CCR8LMNAKDM4EMAPT
SCHEMBL21119901 0.87 KDM4E (0.32) KDM4EMAPTALDH1A1
SCHEMBL21119629 0.86 PARP1 (0.32) KDM4EMAPTALDH1A1
SCHEMBL21119835 0.85 CCR1 (0.36) CCR1CCR8LMNAKDM4EMAPT
SCHEMBL21119810 0.84 PARP1 (0.34) KDM4EMEN1KMT2A
SCHEMBL21119804 0.84 LMNA (0.37) CCR1CCR8LMNAKDM4EMAPT
SCHEMBL21119937 0.83 LMNA (0.40) CCR1CCR8LMNAKDM4EMAPT

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-11522139-B2 Organic light emitting diode LG DISPLAY CO., LTD. (KR) 2022-12-06 US disclosed
US-20190207123-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2019-07-04 US disclosed