SCHEMBL16201577

SCHEMBL16201577

O=[N+]([O-])c1c(Br)cccc1-c1ccc2c(c1)-c1ccccc1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.39
HPRT1 P00492 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRD5A2 P31213 1/20 0.36
CYP1A2 P05177 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TLR9 Q9NR96 1/20 0.35
HSP90AA1 P07900 1/20 0.34
ADORA1 P30542 1/20 0.34
PDPK1 O15530 1/20 0.34
MAOA P21397 2/20 0.34

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
SCHEMBL16201565 0.80 PNMT (0.41) MAPTRAB9AALDH1A1NPC1CYP1A2
SCHEMBL18156806 0.79 ALDH1A1 (0.47) LMNAMAPTRAB9AALDH1A1KDM4E
SCHEMBL20175730 0.79 ALDH1A1 (0.54) TDP2LMNAMAPTRAB9AALDH1A1
SCHEMBL7695298 0.76 ALDH1A1 (0.53) HPRT1LMNARAB9AALDH1A1NPC1
SCHEMBL18156804 0.73 SMN1; SMN2 (0.52) LMNAMAPTRAB9AALDH1A1KDM4E
SCHEMBL23581451 0.72 ALDH1A1 (0.57) LMNAMAPTRAB9AALDH1A1KDM4E
SCHEMBL7618863 0.71 MAPT (0.58) TDP2LMNAMAPTRAB9AALDH1A1
SCHEMBL20557354 0.70 TDP2 (0.64) TDP2LMNAMAPTRAB9AALDH1A1
SCHEMBL30469265 0.70 TDP2 (0.64) TDP2LMNAMAPTRAB9AALDH1A1
SCHEMBL24659391 0.70 TDP2 (0.50) TDP2LMNAMAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140319507-A1 Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element UDC IRELAND LIMITED (IE) 2014-10-30 US disclosed