SCHEMBL11260100

SCHEMBL11260100

Cc1nn(C)c(C)c1C(N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
APAF1 O14727 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRM1 Q13255 1/20 0.33

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
SCHEMBL4805249 0.81 ALDH1A1 (0.44) KDM4EALDH1A1GAAGRIA1GRIA2
SCHEMBL29857764 0.74 KDM4E (0.37) KDM4EALDH1A1GAATSHR
SCHEMBL2757601 0.73 KDM5B (0.38) KDM4EALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL7378485 0.70 KDM4E (0.44) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL7381333 0.70 KDM4E (0.37) KDM4EALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL7381336 0.70 KDM4E (0.37) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL7412862 0.69 KDM4E (0.42) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL7383793 0.68 GAA (0.37) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL5586517 0.68 ALDH1A1 (0.43) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL23059087 0.66 KDM4E (0.33) KDM4EALDH1A1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338434-A ANTIBIOTICS AND ANIMAL FEED SUPPLEMENTS BAYER AKTIENGESELLSCHAFT (DE) 1982-07-06 US disclosed
EP-0000392-B1 CEPHALOSPORINS AND PENICILLINS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAYER AG (DE) 1982-04-28 EP disclosed
US-4215118-A BACTERICIDES, ANIMAL GROWTH PROMOTERS, PRESERVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1980-07-29 US disclosed
EP-0000392-A2 Cephalosporins and penicillins, processes for their preparation and pharmaceutical compositions containing them BAYER AG (DE) 1979-01-24 EP disclosed