SCHEMBL7313604

SCHEMBL7313604

CC(C)COC(=O)c1cccc(Oc2ncccc2C(=O)NCc2ccccc2)c1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.67
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL7307728 0.86 MAPK8 (0.78) MAPK8KMT2AHPGDALDH1A1
SCHEMBL6904255 0.83 MAPK8 (0.58) MAPK8KMT2AHPGD
Hydrochloric Acid SCHEMBL6904251 0.82 MAPK8 (0.57) MAPK8KMT2AHPGD
SCHEMBL7310026 0.81 MAPK8 (1.00) MAPK8ALDH1A1
SCHEMBL4082338 0.81 MAPK8 (0.55) MAPK8KMT2AHPGD
SCHEMBL7371941 0.80 MAPK8 (0.65) MAPK8KMT2AHPGDMEN1
SCHEMBL7319190 0.80 MAPK8 (0.78) MAPK8KMT2AHPGDALDH1A1
SCHEMBL8352585 0.79 MAPK8 (0.53) MAPK8KMT2AHPGD
SCHEMBL7374630 0.79 MAPK8 (0.58) MAPK8KMT2AHPGD
SCHEMBL7365059 0.79 MAPK8 (0.58) MAPK8KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357316-B1 ANTIDEPRESSANT N-SUBSTITUTED NICOTINAMIDE COMPOUNDS PFIZER INC. (US) 1993-04-14 EP disclosed
EP-0357316-A1 Antidepressant N-substituted nicotinamide compounds PFIZER INC. (US) 1990-03-07 EP disclosed
US-4861891-A Antidepressant N-substituted nicotinamide compounds PFIZER INC. (US) 1989-08-29 US disclosed