SCHEMBL7573535

SCHEMBL7573535

CCCCCC#CCN=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL7573528 1.00 MAPT (0.53) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL7581881 0.99 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL7581875 0.99 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL7574928 0.96 MAPT (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL7574927 0.96 MAPT (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL7574272 0.91 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL7574265 0.91 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL7571980 0.85 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7571978 0.85 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7573443 0.85 GRIN2D (0.44) MAPTALDH1A1MEN1KMT2AGAA

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-0810199-B1 Method for producing propargylamine compounds SUMITOMO CHEMICAL CO (JP) 2002-09-25 EP disclosed
US-5756769-A Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1998-05-26 US disclosed
EP-0810199-A1 Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-03 EP disclosed