SCHEMBL7307728

SCHEMBL7307728

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

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.78
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LOX P28300 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.54
NSD2 O96028 1/20 0.54

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
SCHEMBL4081804 0.90 MAPK8 (0.63) MAPK8HPGDKMT2ALOXLOXL2
SCHEMBL7310026 0.88 MAPK8 (1.00) MAPK8ALDH1A1
SCHEMBL4098042 0.88 MAPK8 (0.60) MAPK8HPGDKMT2ALOXLOXL2
SCHEMBL7319190 0.87 MAPK8 (0.78) MAPK8HPGDKMT2AALDH1A1
SCHEMBL7313604 0.86 MAPK8 (0.67) MAPK8HPGDKMT2AALDH1A1
SCHEMBL7371941 0.85 MAPK8 (0.65) MAPK8HPGDKMT2A
SCHEMBL8756555 0.82 MAPK8 (0.78) MAPK8HPGDKMT2AALDH1A1
SCHEMBL5608707 0.81 MAPK8 (0.52) MAPK8
SCHEMBL6051217 0.81 PTGER4 (0.61) MAPK8KMT2A
SCHEMBL7374630 0.80 MAPK8 (0.58) MAPK8HPGDKMT2A

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