SCHEMBL9915598

SCHEMBL9915598

CCN(CC)c1ccc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.70
ALDH1A1 P00352 4/20 0.57
ALDH3A1 P30838 1/20 0.57
ALDH1A3 P47895 1/20 0.57
MAPT P10636 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 2/20 0.53
RELA Q04206 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL2622619 0.92 ALDH1A1 (0.65) APPALDH1A1ALDH3A1ALDH1A3MAPT
SCHEMBL11876851 0.85 APP (0.95) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL9017237 0.85 APP (0.95) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL9017239 0.85 APP (0.95) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL11876857 0.85 APP (0.95) APPALDH1A1MAPTMEN1KMT2A
SCHEMBL2622630 0.85 ALDH1A1 (0.57) APPALDH1A1ALDH3A1ALDH1A3MAPT
SCHEMBL2622641 0.85 ALDH1A1 (0.57) APPALDH1A1ALDH3A1ALDH1A3MAPT
SCHEMBL2622612 0.85 ALDH1A1 (0.57) APPALDH1A1ALDH3A1ALDH1A3MAPT
SCHEMBL9017226 0.84 APP (0.50) APPALDH1A1ALDH3A1ALDH1A3MAPT
SCHEMBL2298605 0.83 ALDH1A1 (0.71) ALDH1A1ALDH3A1ALDH1A3MAPTMEN1

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-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed
US-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed