SCHEMBL8722317

SCHEMBL8722317

N#C/C=C(\C#N)c1ccc(/N=N/c2ccc(N3CC(O)C(O)C3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
LMNA P02545 3/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 4/20 0.30
KMT2A Q03164 4/20 0.30
KDM4E B2RXH2 3/20 0.30
PKM P14618 3/20 0.30
HPGD P15428 3/20 0.30
ALOX12 P18054 2/20 0.30
HTT P42858 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
ATM Q13315 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL8722325 1.00 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8722321 1.00 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8724429 0.85 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8724437 0.85 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8724433 0.85 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8722330 0.77 MEN1 (0.56) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6003808 0.71 NPC1 (0.51) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL6003804 0.71 NPC1 (0.51) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL6003812 0.71 NPC1 (0.51) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL8509845 0.69 MEN1 (0.42) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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