SCHEMBL7813784

SCHEMBL7813784

CC(C)(Oc1ccccc1N1CCN(C(=O)c2cccs2)CC1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 3/20 0.51
GAA P10253 2/20 0.51
KCNA5 P22460 2/20 0.51
MAPT P10636 1/20 0.51
ALOX12 P18054 1/20 0.51
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR1A P08908 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL9653450 0.83 ALDH1A1 (0.79) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL7813944 0.83 MEN1 (0.61) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL7811604 0.82 SMN1; SMN2 (0.66) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL7804301 0.81 KCNA5 (0.73) ALDH1A1KDM4ELMNAGAAKCNA5
SCHEMBL7811376 0.81 RBP4 (0.53) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL7810142 0.80 POLB (0.60) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL7810154 0.80 MEN1 (0.60) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL7814104 0.79 KCNA5 (0.58) ALDH1A1KDM4ELMNAGAAKCNA5
SCHEMBL7810093 0.79 MEN1 (0.62) KDM4ELMNAGAAMAPTMEN1
SCHEMBL7810164 0.79 MEN1 (0.58) ALDH1A1KDM4ELMNAMAPTMEN1

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
EP-0607536-B1 Arylamide derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed