SCHEMBL7345822

SCHEMBL7345822

CCCCCNC(=O)c1cccnc1Oc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.66
ALDH1A1 P00352 1/20 0.64
GAA P10253 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
POLB P06746 1/20 0.56

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
SCHEMBL7369085 0.90 MAPK8 (0.53) MAPK8ALDH1A1GAAPOLB
SCHEMBL7373674 0.86 MAPK8 (0.54) MAPK8ALDH1A1GAAPOLB
SCHEMBL6965251 0.83 MAPK8 (0.66) MAPK8ALDH1A1GAATDP1POLB
SCHEMBL10073050 0.82 MAPK8 (0.77) MAPK8ALDH1A1POLB
SCHEMBL4619023 0.81 MAPK8 (0.66) MAPK8ALDH1A1GAATDP1POLB
SCHEMBL7366862 0.81 MAPK8 (0.56) MAPK8ALDH1A1GAAPOLB
SCHEMBL7310026 0.80 MAPK8 (1.00) MAPK8ALDH1A1GAATDP1
SCHEMBL8568262 0.79 ALDH1A1 (0.74) MAPK8ALDH1A1GAATDP1POLB
SCHEMBL5213184 0.79 ALDH1A1 (1.00) MAPK8ALDH1A1GAATDP1POLB
SCHEMBL5717635 0.79 ALDH1A1 (0.73) MAPK8ALDH1A1GAATDP1

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 6 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
US-5057142-A Herbicidal thiazolecarboxamide derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-10-15 US disclosed
EP-0422470-A2 Thiazolcarboxylic acid amide derivatives BAYER AG (DE) 1991-04-17 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
US-4270946-A N-Aryl,2-phenoxy nicotinamide compounds and the herbicidal use thereof STAUFFER CHEMICAL COMPANY (US) 1981-06-02 US disclosed