SCHEMBL8553851

SCHEMBL8553851

CCN(CC)/C(=C/CC#N)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
LMNA P02545 1/20 0.35
PGR P06401 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL8553854 1.00 ALDH1A1 (0.41) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL673022 0.77 ALDH1A1 (0.44) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL17955311 0.75 ALDH1A1 (0.50) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL12411256 0.75 ALDH1A1 (0.50) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL7084378 0.74 NFE2L2 (0.39) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL8859065 0.72 ALDH1A1 (0.47) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL674663 0.71 ALDH1A1 (0.40) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL11320823 0.71 CYP19A1 (0.36) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL11320822 0.71 CYP19A1 (0.36) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL11206642 0.71 NPC1 (0.49) ALDH1A1HPGDMAPTNPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503958-B1 Heterocyclic compounds and their production NIPPON PAINT CO LTD (JP) 1998-09-23 EP disclosed
US-5496943-A USING UNSATURATED ACYLISOCYANATE COMPOUNDS TO FORM OXAZOLINES, PYRANS WITH AMINOCARBONYLHETERO SUBSTITUTION AND GLUTARIMIDE DERIVATIVES AS CHEMICAL INTERMEDIATES NIPPON PAINT CO., LTD. (JP) 1996-03-05 US disclosed
EP-0503958-A2 Heterocyclic compounds and their production Nippon Paint Co., Ltd. (JP) 1992-09-16 EP disclosed