SCHEMBL13720552

SCHEMBL13720552

c1ccc(N(c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5ncccc45)cc3)cc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5ncccc45)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
CYP3A4 P08684 2/20 0.41
POLB P06746 1/20 0.39
NSD2 O96028 1/20 0.38
ALDH1A1 P00352 4/20 0.38
EGFR P00533 1/20 0.38
P2RX7 Q99572 1/20 0.38
NCF1 P14598 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHKA P35790 1/20 0.36
LMNA P02545 2/20 0.36
LOXL2 Q9Y4K0 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
SCHEMBL13721355 1.00 KDM4E (0.44) KDM4EMAPTCYP3A4POLBNSD2
SCHEMBL13720496 0.97 KDM4E (0.41) KDM4EMAPTCYP3A4POLBNSD2
SCHEMBL13721521 0.97 KDM4E (0.41) KDM4EMAPTCYP3A4POLBNSD2
SCHEMBL16484705 0.97 KDM4E (0.47) KDM4EMAPTCYP3A4POLBNSD2
SCHEMBL16483959 0.93 KDM4E (0.47) KDM4EMAPTCYP3A4POLBNSD2
SCHEMBL13721335 0.93 ALDH1A1 (0.38) KDM4EMAPTCYP3A4ALDH1A1EGFR
SCHEMBL13720904 0.93 EGFR (0.47) KDM4EMAPTCYP3A4EGFRMEN1
SCHEMBL13721508 0.93 EGFR (0.47) KDM4EMAPTCYP3A4EGFRMEN1
SCHEMBL13721255 0.93 ALDH1A1 (0.38) KDM4EMAPTCYP3A4ALDH1A1EGFR
SCHEMBL12462308 0.91 ALDH1A1 (0.39) KDM4EMAPTCYP3A4ALDH1A1EGFR

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-7576484-B2 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2009-08-18 US disclosed
US-7576484-B2 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2009-08-18 US disclosed