SCHEMBL14129698

SCHEMBL14129698

O=[N+]([O-])c1cc(Br)ccc1OCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
HPGD P15428 1/20 0.50
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PRSS1 P07477 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
S1PR4 O95977 1/20 0.43

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
SCHEMBL15854534 0.91 PRSS1 (0.50) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL14129673 0.86 NPC1 (0.67) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL19128338 0.84 ALDH1A1 (0.53) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL17132331 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL30935123 0.81 ALDH1A1 (0.52) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL19174928 0.81 ALDH1A1 (0.52) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL13882647 0.81 ALDH1A1 (0.48) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL28043350 0.80 NPC1 (0.47) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL17668974 0.80 NPC1 (0.75) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL17669136 0.80 NPC1 (0.75) ALDH1A1MAPTLMNAMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393598-B2 Light emitting molecules and organic light emitting devices including light emitting molecules HCF PARTNERS, L.P. (US) 2008-07-01 US disclosed
US-7393598-B2 Light emitting molecules and organic light emitting devices including light emitting molecules HCF PARTNERS, L.P. (US) 2008-07-01 US disclosed