SCHEMBL8315365

SCHEMBL8315365

N#Cc1cccc(-c2csc(-c3cc(Cc4ccc([N+](=O)[O-])cc4)cc(C#N)n3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.36
EIF4E P06730 4/20 0.36
PTPRF P10586 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35

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
Hydrochloric Acid SCHEMBL8314513 0.78 MAPT (0.39) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL9078662 0.74 PTPRF (0.38) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL8311563 0.73 EIF4E (0.45) MAPTMEN1KMT2ARAB9AL3MBTL1
SCHEMBL8310752 0.73 ADORA3 (0.50) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL8313981 0.70 EIF4E (0.44) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL8755201 0.70 MCL1 (0.44) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL21689116 0.68 FBP1 (0.44) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL1644426 0.67 POLB (0.58) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL21663982 0.66 EIF4E (0.40) MAPTRAB9AMAPK1CYP1A2CYP3A4
SCHEMBL8755389 0.64 RAB9A (0.44) MAPTMEN1KMT2ARAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626068-B1 LUMINESCENT LANTHANIDE CHELATES WALLAC OY (FI) 1999-05-06 EP disclosed
US-5571897-A Luminescent lanthanide chelates WALLAC OY (FI) 1996-11-05 US disclosed
EP-0626068-A1 LUMINESCENT LANTHANIDE CHELATES WALLAC OY (FI) 1994-11-30 EP disclosed
WO-1993011433-A1 LUMINESCENT LANTHANIDE CHELATES WALLAC OY (FI) 1993-06-10 WO disclosed