SCHEMBL8992877

SCHEMBL8992877

CNc1ccc(N=Nc2ccc(N(CCO)CCO)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
PSMD14 O00487 1/20 0.43
MITF O75030 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HCAR3 P49019 1/20 0.36
NNMT P40261 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MAPK1 P28482 2/20 0.33
POLB P06746 2/20 0.33
MMP14 P50281 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8993043 0.85 NPC1 (0.40) NPC1MAPTRAB9AKMT2APSMD14
SCHEMBL8992872 0.78 MAPT (0.43) NPC1MAPTRAB9AKMT2APSMD14
SCHEMBL19822976 0.74 NPC1 (0.52) NPC1MAPTRAB9AKMT2APSMD14
SCHEMBL12513606 0.74 NPC1 (0.52) NPC1MAPTRAB9AKMT2APSMD14
SCHEMBL8992846 0.72 MAPT (0.43) NPC1MAPTRAB9AKMT2APSMD14
SCHEMBL1131911 0.72 KMT2A (0.48) NPC1MAPTRAB9AKMT2APSMD14
SCHEMBL1131912 0.72 KMT2A (0.48) NPC1MAPTRAB9AKMT2APSMD14
SCHEMBL12676013 0.72 KMT2A (0.52) NPC1MAPTRAB9AKMT2APSMD14
SCHEMBL25485940 0.72 KMT2A (0.65) NPC1MAPTRAB9AKMT2APSMD14
SCHEMBL19831101 0.72 NPC1 (0.47) NPC1MAPTRAB9AKMT2APSMD14

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