SCHEMBL8724442

SCHEMBL8724442

N#CC(C#N)=Cc1ccc(N=Nc2ccc(N3CCCC3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.82
KMT2A Q03164 9/20 0.82
ALDH1A1 P00352 9/20 0.82
MAPT P10636 8/20 0.82
SMN1; SMN2 Q16637 5/20 0.82
LMNA P02545 4/20 0.51
CRHBP P24387 1/20 0.51
HTT P42858 1/20 0.51
CRHR2 Q13324 1/20 0.51
TNNI3 P19429 1/20 0.51
TNNT2 P45379 1/20 0.51
TNNC1 P63316 1/20 0.51
KDM4E B2RXH2 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
SCHEMBL32675887 0.91 MEN1 (1.00) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL255364 0.89 MEN1 (0.97) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL255365 0.89 MEN1 (0.97) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8722330 0.83 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13574005 0.79 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1009547 0.78 KMT2A (1.00) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL11589274 0.76 MAPT (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL11589270 0.76 MAPT (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14571074 0.75 ALDH1A1 (0.71) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL16312152 0.75 ALDH1A1 (0.71) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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
EP-0868682-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE Akzo Nobel N.V. (NL) 1998-10-07 EP disclosed
WO-1997023807-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE AKZO NOBEL N.V. (NL) 1997-07-03 WO disclosed