SCHEMBL14129673

SCHEMBL14129673

O=[N+]([O-])c1ccccc1OCCOCCOc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
RECQL P46063 2/20 0.67
ALDH1A1 P00352 10/20 0.64
LMNA P02545 4/20 0.64
KDM4E B2RXH2 3/20 0.56
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 6/20 0.53
MAPK1 P28482 3/20 0.53
MEN1 O00255 1/20 0.53
GBA1 P04062 1/20 0.53
HPGD P15428 3/20 0.52
TDP1 Q9NUW8 1/20 0.46
PRSS1 P07477 1/20 0.46

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
SCHEMBL13435257 0.87 NPC1 (0.89) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL13531827 0.87 NPC1 (0.89) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL14129698 0.86 ALDH1A1 (0.52) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL9187561 0.82 NPC1 (1.00) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL30935123 0.81 ALDH1A1 (0.52) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL19174928 0.81 ALDH1A1 (0.52) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL28043350 0.80 NPC1 (0.47) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL15854534 0.80 PRSS1 (0.50) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL23221367 0.80 NPC1 (0.75) NPC1RAB9ARECQLALDH1A1LMNA
SCHEMBL19557488 0.80 NPC1 (0.75) NPC1RAB9ARECQLALDH1A1LMNA

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