SCHEMBL16144396

SCHEMBL16144396

N#Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ncc6ccccc6n5)ccc5ccc2c3c54)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KDM1A O60341 2/20 0.32
WEE1 P30291 1/20 0.32
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CSF1R P07333 1/20 0.31
HSD11B1 P28845 1/20 0.31
GBA1 P04062 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL16144383 0.90 CYP1A2 (0.34) KDM4EMAPTRAB9APTGDR2CYP1A2
SCHEMBL16144430 0.85 PTGDR2 (0.38) ABCG2MAPTMEN1KMT2APTGDR2
SCHEMBL16144433 0.83 CYP1A2 (0.34) PTGDR2CYP1A2
SCHEMBL30666022 0.83 TSHR (0.39) ABCG2MAPTMEN1KMT2ARAB9A
SCHEMBL179175 0.83 TSHR (0.39) ABCG2MAPTMEN1KMT2ARAB9A
SCHEMBL25585717 0.83 TSHR (0.39) ABCG2MAPTMEN1KMT2ARAB9A
SCHEMBL16144497 0.83 ABCG2 (0.37) ABCG2KDM4EMAPTMEN1KMT2A
SCHEMBL15137913 0.82 CRHBP (0.37) ABCG2MAPTMEN1KMT2APTGDR2
SCHEMBL15250354 0.82 CYP1A2 (0.32) CYP1A2
SCHEMBL16144411 0.81 ATM (0.34) ABCG2KDM4EPTGDR2LMNASMN1; SMN2

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