SCHEMBL13624997

SCHEMBL13624997

CN(CC(=O)Nc1c2c(nc3ccccc13)CCC2)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTT P42858 3/20 0.54
GAA P10253 1/20 0.54
APP P05067 5/20 0.54
PABPC1 P11940 1/20 0.54
EIF4H Q15056 1/20 0.54
BCHE P06276 2/20 0.52
ACHE P22303 2/20 0.52
RAD52 P43351 1/20 0.51
MAPT P10636 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
SCHEMBL13624996 0.90 CYP1A2 (0.54) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9232310 0.85 KDM4E (0.64) KDM4EMEN1KMT2AUSP2ALDH1A1
SCHEMBL8523769 0.81 KDM4E (0.62) KDM4EMEN1KMT2AUSP2ALDH1A1
SCHEMBL9748781 0.79 KDM4E (0.68) KDM4EMEN1KMT2AUSP2ALDH1A1
SCHEMBL9387187 0.78 KDM4E (0.69) KDM4EMEN1KMT2AUSP2ALDH1A1
SCHEMBL8474173 0.78 BCHE (0.66) KDM4EHTTGAAAPPBCHE
SCHEMBL9384234 0.78 KDM4E (0.72) KDM4EMEN1KMT2AUSP2ALDH1A1
SCHEMBL9382159 0.77 KDM4E (0.65) KDM4EMEN1KMT2AUSP2ALDH1A1
SCHEMBL9747358 0.76 KDM4E (0.63) KDM4EMEN1KMT2AUSP2ALDH1A1
SCHEMBL8472225 0.75 HTT (0.71) KDM4EHTTGAABCHEACHE

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-7612082-B2 Treating glaucoma; eye disorders ALLERGAN, INC. (US) 2009-11-03 US disclosed
US-7612082-B2 Treating glaucoma; eye disorders ALLERGAN, INC. (US) 2009-11-03 US disclosed