SCHEMBL16442425

SCHEMBL16442425

O=C(Nc1cc(Br)ccc1Nc1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
TP53 P04637 2/20 0.59
GPR35 Q9HC97 1/20 0.52
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
HDAC2 Q92769 1/20 0.51
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
NR1H4 Q96RI1 1/20 0.49
HIF1A Q16665 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL12946172 0.95 MEN1 (0.66) MAPTMEN1KMT2ATP53GPR35
SCHEMBL12946110 0.88 MAPT (0.61) MAPTMEN1KMT2ATP53AKR1C3
SCHEMBL339194 0.84 MEN1 (0.71) MAPTMEN1KMT2ATP53HDAC2
SCHEMBL338138 0.84 MEN1 (0.67) MAPTMEN1KMT2ATP53HDAC2
SCHEMBL9611892 0.84 MEN1 (0.57) MAPTMEN1KMT2ATP53KCNK3
SCHEMBL17834297 0.84 MEN1 (0.57) MAPTMEN1KMT2ATP53KCNK3
SCHEMBL28816946 0.83 MAPT (0.68) MAPTMEN1KMT2ATP53GPR35
SCHEMBL339128 0.83 ALDH1A1 (0.55) MAPTMEN1KMT2AAKR1C3AKR1C2
SCHEMBL21769618 0.83 HDAC2 (0.67) MAPTMEN1KMT2ATP53HDAC2
SCHEMBL6140750 0.82 SIRT2 (0.59) MAPTMEN1KMT2ATP53KCNK3

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
US-20150034927-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-02-05 US disclosed
CN-101812021-B Nitrogen-containing heterocyclic derivative and organic electroluminescent element using same IDEMITSU KOSAN CO 2012-12-26 CN disclosed
CN-1784388-B Nitrogen-containing heterocyclic derivative and organic electroluminescent element using same IDEMITSU KOSAN CO.,LTD. (JP) 2012-02-22 CN disclosed