SCHEMBL17932736

SCHEMBL17932736

c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)n4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
OPRK1 P41145 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDK2 Q15119 9/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
NTSR1 P30989 1/20 0.39
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 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
SCHEMBL12133916 1.00 MEN1 (0.45) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL17932672 1.00 MEN1 (0.45) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL17932286 1.00 MEN1 (0.45) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL18468628 1.00 MEN1 (0.45) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL12133811 0.98 MEN1 (0.46) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL12133795 0.98 MEN1 (0.46) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL17932673 0.97 MEN1 (0.42) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL17932735 0.97 MEN1 (0.42) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL16772392 0.97 MEN1 (0.45) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL21394272 0.97 PDK2 (0.47) MEN1KMT2AMAPTLMNAKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3048654-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2016-07-27 EP disclosed
US-20160211454-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed
US-20160211454-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed