SCHEMBL338860

SCHEMBL338860

O=C(Nc1ccccc1Nc1ccc(Br)cc1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
PTGS2 P35354 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52

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
SCHEMBL20990144 0.85 NPC1 (0.67) TLR7HDAC6PTGS2NPC1RAB9A
SCHEMBL7989152 0.83 HDAC1 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12946208 0.80 MEN1 (0.69) HDAC1NPC1RAB9AMAPTKMT2A
SCHEMBL338138 0.79 MEN1 (0.67) HDAC3HDAC1HDAC2RAB9AMAPT
SCHEMBL15888707 0.79 TP53 (0.58) HDAC1HDAC2NPC1RAB9AMAPT
SCHEMBL28871740 0.78 TLR7 (0.70) TLR7PTGS2NPC1RAB9AMAPT
SCHEMBL339194 0.76 MEN1 (0.71) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL338788 0.75 SIRT2 (0.54) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL4522324 0.74 HDAC1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14363394 0.74 MEN1 (0.64) HDAC1HDAC2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1602648-B2 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO (JP) 2025-03-26 EP disclosed
CN-101503393-B Nitrogen-containing heterocyclic derivative and organic electroluminescent element using same IDEMITSU KOSAN CO.,LTD. (JP) 2015-08-19 CN disclosed
US-8097349-B2 Nitrogen containing heterocycle derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-01-17 US disclosed
CN-101812021-A Nitrogen-containing heterocyclic derivative and organic electroluminescent element using same IDEMITSU KOSAN CO 2010-08-25 CN disclosed
CN-101503393-A Nitrogen-containing heterocyclic derivative and organic electroluminescent element using same IDEMITSU KOSAN CO (JP) 2009-08-12 CN disclosed
CN-1784388-A Nitrogen-containing heterocyclic derivative and organic electroluminescent element using same IDEMITSU KOSAN CO (JP) 2006-06-07 CN disclosed