SCHEMBL7996827

SCHEMBL7996827

CC1CCC2(C1)N(C)c1ccc([N+](=O)[O-])cc1N2C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 8/20 0.44
HTT P42858 3/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 4/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP4 P49662 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 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
SCHEMBL8000251 0.80 L3MBTL1 (0.57) L3MBTL1ALDH1A1HTTGAASMN1; SMN2
SCHEMBL8000338 0.79 L3MBTL1 (0.56) L3MBTL1ALDH1A1HTTGAASMN1; SMN2
SCHEMBL7996831 0.74 L3MBTL1 (0.66) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL17378553 0.68 L3MBTL1 (0.57) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL3032231 0.67 ALDH1A1 (0.66) ALDH1A1HTTGAASMN1; SMN2MAPT
SCHEMBL9499652 0.66 L3MBTL1 (0.51) L3MBTL1ALDH1A1HTTGAASMN1; SMN2
SCHEMBL9590694 0.66 CASP1 (0.54) L3MBTL1ALDH1A1HTTGAASMN1; SMN2
SCHEMBL13419591 0.66 ALDH1A1 (0.57) ALDH1A1HTTGAASMN1; SMN2MAPT
SCHEMBL27828841 0.66 L3MBTL1 (0.54) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL30544455 0.65 ALDH1A1 (0.44) L3MBTL1ALDH1A1HTTGAASMN1; 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
US-6280884-B1 HOLOGRAPHIC STORAGE IN PHOTOREFRACTIVE POLYMERIC OPTICAL ARTICLE, EXPOSURE TO ELECTROMAGNETIC RADIATION WITH INTERSECTING BEAMS INTERNATIONAL BUSINESS MACHINES CORPORATION 2001-08-28 US disclosed
US-5719690-A Photorefractive glass article INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1998-02-17 US disclosed