SCHEMBL16144384

SCHEMBL16144384

c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc6ccc7cccnc7c6n5)ccc5ccc2c3c54)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.41
CCR8 P51685 4/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
CCR5 P51681 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MMP2 P08253 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MMP8 P22894 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 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
SCHEMBL16144391 0.91 CCR1 (0.34) CCR1CCR8LMNAMAPTCCR5
SCHEMBL16144414 0.91 CCR1 (0.35) CCR1CCR8LMNAMAPTCCR5
SCHEMBL16144493 0.90 EGLN1 (0.35) CCR1CCR8LMNAMAPTCCR5
SCHEMBL16144486 0.90 KDM4E (0.35) CCR1CCR8LMNAMAPTCCR5
SCHEMBL16144408 0.84 CCR1 (0.31) CCR1CCR8LMNAMAPTCCR5
SCHEMBL13304251 0.83 MAPT (0.41) CCR1CCR8LMNAMAPTCCR5
SCHEMBL14298057 0.82 ALDH1A1 (0.40) CCR1CCR8LMNAMAPTCCR5
SCHEMBL14298042 0.82 ALDH1A1 (0.40) CCR1CCR8LMNAMAPTCCR5
SCHEMBL17132492 0.81 LMNA (0.33) CCR1CCR8LMNAMAPTCCR5
SCHEMBL16144421 0.81 MAOA (0.34) LMNAMAPTKDM4ESMN1; SMN2HSP90AA1

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-9583718-B2 Pyrene-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 US disclosed
US-9583718-B2 Pyrene-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 US disclosed
US-20140291646-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-02 US disclosed
US-20140291646-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-02 US disclosed