SCHEMBL15079140

SCHEMBL15079140

O=C(CC[n+]1c2ccccc2cc2ccccc21)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ATM Q13315 2/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NOTUM Q6P988 1/20 0.40
MAOB P27338 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CDC25B P30305 1/20 0.39

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
Trifluoromethanesulfonic Acid SCHEMBL15056761 0.88 LMNA (0.42) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL15079144 0.81 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL15056762 0.81 LMNA (0.36) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL16260120 0.78 ATM (0.55) ALDH1A1L3MBTL1KMT2AMEN1ATM
Bromide SCHEMBL15055992 0.77 MEN1 (0.53) ALDH1A1KMT2AMEN1ATMRAB9A
SCHEMBL1177836 0.76 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL12925177 0.74 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL16260131 0.73 KMT2A (0.58) ALDH1A1KMT2AMEN1ATMRAB9A
SCHEMBL523412 0.73 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL18673 0.72 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1KMT2AMEN1

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-20140349297-A1 FLUORESCENT DYES BASED ON ACRIDINE AND ACRIDINIUM DERIVATIVES ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2014-11-27 US disclosed
US-20140349297-A1 FLUORESCENT DYES BASED ON ACRIDINE AND ACRIDINIUM DERIVATIVES ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2014-11-27 US disclosed
WO-2013093481-A1 FLUORESCENT DYES BASED ON ACRIDINE AND ACRIDINIUM DERIVATIVES ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2013-06-27 WO disclosed