SCHEMBL4737519

SCHEMBL4737519

CN(C)c1ccc(CNC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.76
KDM4E B2RXH2 1/20 0.76
HTT P42858 1/20 0.76
CA2 P00918 1/20 0.67
LMNA P02545 1/20 0.65
HDAC4 P56524 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC3 O15379 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
LSS P48449 1/20 0.55

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
SCHEMBL21091969 0.92 ALDH1A1 (0.88) ALDH1A1KDM4EHTTCA2LMNA
Hydrochloric Acid SCHEMBL28938255 0.91 ALDH1A1 (0.85) ALDH1A1KDM4EHTTCA2LMNA
SCHEMBL30828559 0.88 ALDH1A1 (0.80) ALDH1A1KDM4EHTTCA2HDAC4
SCHEMBL6077802 0.87 L3MBTL1 (0.77) ALDH1A1CA2LMNAHDAC1HDAC6
SCHEMBL3919500 0.86 ALDH1A1 (0.78) ALDH1A1KDM4EHTTCA2LMNA
SCHEMBL3816827 0.85 LMNA (0.63) ALDH1A1KDM4EHTTLMNAL3MBTL1
SCHEMBL2701620 0.85 ALDH1A1 (0.76) ALDH1A1KDM4EHTTCA2LMNA
SCHEMBL2701623 0.85 ALDH1A1 (0.76) ALDH1A1KDM4EHTTCA2LMNA
Hydrochloric Acid SCHEMBL4736121 0.84 LMNA (0.62) ALDH1A1KDM4EHTTLMNAL3MBTL1
SCHEMBL3058881 0.84 ALDH1A1 (0.74) ALDH1A1KDM4EHTTCA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed