SCHEMBL21119937

SCHEMBL21119937

c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5c(ccc6sc7ccccc7c65)n4)c4ccccc34)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
KDM4E B2RXH2 6/20 0.37
MAPT P10636 6/20 0.37
CCR1 P32246 4/20 0.37
CCR8 P51685 4/20 0.37
TDP1 Q9NUW8 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALOX15 P16050 3/20 0.37
HTT P42858 3/20 0.37
CYP3A4 P08684 2/20 0.37
CCR5 P51681 2/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 2/20 0.37
HSP90AA1 P07900 2/20 0.37
GMNN O75496 1/20 0.37
MMP2 P08253 1/20 0.37
CYP2D6 P10635 1/20 0.37
MMP9 P14780 1/20 0.37
NFKB1 P19838 1/20 0.37
MMP8 P22894 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
SCHEMBL21119794 0.97 LMNA (0.40) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL21119683 0.96 LMNA (0.37) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL21119977 0.92 LMNA (0.40) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL21119791 0.92 LMNA (0.40) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL21120247 0.88 CDK1 (0.41) LMNAKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL21119653 0.85 CDK1 (0.38) LMNAKDM4EMAPTSMN1; SMN2TP53
SCHEMBL21119842 0.85 CCR1 (0.35) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL21119641 0.85 CDK1 (0.40) LMNAKDM4EMAPTSMN1; SMN2MEN1
SCHEMBL21119848 0.85 LMNA (0.41) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL21119804 0.84 LMNA (0.37) LMNAKDM4EMAPTCCR1CCR8

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