SCHEMBL16436614

SCHEMBL16436614

c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc(-c6cc(-c7ccccc7)c7ccccc7n6)cc5)nc(-c5ccc(-c6cc(-c7ccccc7)c7ccccc7n6)cc5)c4c3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 4/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 4/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TOP1 P11387 5/20 0.41
DHODH Q02127 1/20 0.40
ACHE P22303 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NTSR1 P30989 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL16436667 0.95 ACACA (0.50) ACACAMEN1KMT2AATMHPGD
SCHEMBL16436586 0.95 ACACA (0.50) ACACAMEN1KMT2AATMHPGD
SCHEMBL16436698 0.93 ACACA (0.46) ACACAMEN1KMT2AATMHPGD
SCHEMBL16436529 0.91 ACACA (0.47) ACACAMEN1KMT2AATMHPGD
SCHEMBL16436626 0.91 MEN1 (0.44) MEN1KMT2AATMHPGDMAPK1
SCHEMBL16436627 0.91 MEN1 (0.44) MEN1KMT2AATMHPGDMAPK1
SCHEMBL16436629 0.89 MEN1 (0.40) MEN1KMT2AATMHPGDMAPK1
SCHEMBL16436631 0.89 MEN1 (0.40) MEN1KMT2AATMHPGDMAPK1
SCHEMBL21664824 0.89 MEN1 (0.47) MEN1KMT2AATMHPGDMAPK1
SCHEMBL16436635 0.88 NPC1 (0.42) MEN1KMT2AATMHPGDALDH1A1

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-9324948-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode SAMSUNG SDI CO., LTD. (KR) 2016-04-26 US disclosed
US-9324948-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode SAMSUNG SDI CO., LTD. (KR) 2016-04-26 US disclosed
US-20150034938-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-02-05 US disclosed
US-20150034938-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-02-05 US disclosed