SCHEMBL8992872

SCHEMBL8992872

Nc1ccc(N=Nc2ccc(N(CCO)CCO)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
KMT2A Q03164 5/20 0.43
PSMD14 O00487 1/20 0.43
MITF O75030 1/20 0.43
MEN1 O00255 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MMP14 P50281 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32

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
SCHEMBL1011782 0.80 MAPT (0.52) MAPTNPC1RAB9AKMT2APSMD14
SCHEMBL4931488 0.80 MAPT (0.52) MAPTNPC1RAB9AKMT2APSMD14
SCHEMBL8992877 0.78 NPC1 (0.43) MAPTNPC1RAB9AKMT2APSMD14
SCHEMBL8993043 0.77 NPC1 (0.40) MAPTNPC1RAB9AKMT2APSMD14
SCHEMBL13297216 0.77 KMT2A (0.46) MAPTNPC1RAB9AKMT2APSMD14
SCHEMBL8992846 0.76 MAPT (0.43) MAPTNPC1RAB9AKMT2APSMD14
SCHEMBL1131912 0.76 KMT2A (0.48) MAPTNPC1RAB9AKMT2APSMD14
SCHEMBL1131911 0.76 KMT2A (0.48) MAPTNPC1RAB9AKMT2APSMD14
SCHEMBL19831101 0.75 NPC1 (0.47) MAPTNPC1RAB9AKMT2APSMD14
SCHEMBL1615340 0.75 ALDH1A1 (0.52) MAPTNPC1RAB9AKMT2APSMD14

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-0601302-B1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes WELLA AG (DE) 1996-07-10 EP claimed
EP-0601302-A1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes Wella Aktiengesellschaft (DE) 1994-06-15 EP claimed
JP-6207114-A None JP disclosed
EP-0601302-B1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes WELLA AG (DE) 1996-07-10 EP disclosed
JP-H06207114-A NEW 3-PYRIDINEAZODYESTUFF AND HAIR DYEING AGENT CONTAINING THE SAME WELLA AG 1994-07-26 JP disclosed
EP-0601302-A1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes Wella Aktiengesellschaft (DE) 1994-06-15 EP disclosed