SCHEMBL5420145

SCHEMBL5420145

CC1=CN(c2cc(C(N)=O)ccc2-c2ccccc2)NO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.38
MKNK2 Q9HBH9 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
CHEK2 O96017 4/20 0.36
IP6K1 Q92551 1/20 0.35
JAK3 P52333 3/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
CDC7 O00311 1/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
MAPK13 O15264 1/20 0.35
PDPK1 O15530 1/20 0.35
DYRK3 O43781 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL5335642 0.78 CHEK2 (0.40) MKNK1MKNK2ALDH1A1CHEK2IP6K1
SCHEMBL2026285 0.71 ESR2 (0.55) MKNK1MKNK2ALDH1A1HPGDCHEK2
SCHEMBL30556675 0.69 HTR6 (0.58) ALDH1A1PRKD2
SCHEMBL2026663 0.69 L3MBTL1 (0.52) MKNK1MKNK2CHEK2IP6K1JAK3
SCHEMBL30903715 0.69 L3MBTL1 (0.52) MKNK1MKNK2CHEK2IP6K1JAK3
SCHEMBL29854461 0.68 MAPK14 (0.51) MKNK1MKNK2ALDH1A1HPGDCHEK2
Hydrochloric Acid SCHEMBL28812686 0.67 CHEK2 (0.50) MKNK1MKNK2CHEK2IP6K1JAK3
SCHEMBL3781170 0.66 MKNK1 (0.53) MKNK1MKNK2ALDH1A1CHEK2IP6K1
SCHEMBL944091 0.66 BCAT2 (0.63) MKNK1MKNK2CHEK2IP6K1BRD4
SCHEMBL4530801 0.66 MKNK1 (0.46) MKNK1MKNK2HPGDCHEK2EGFR

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
WO-2007077457-A9 TREATMENT OF EQUINE LAMINITIS WITH 5-HT1B/ 1D ANTAGONISTS ROYAL VETERINARY COLLEGE (GB) 2007-10-18 WO claimed
WO-2007077457-A2 TREATMENT OF EQUINE LAMINITIS WITH 5-HT1B/ 1D ANTAGONISTS THE ROYAL VETERINARY COLLEGE (GB) 2007-07-12 WO claimed