SCHEMBL8105465

SCHEMBL8105465

C=CC(c1c[nH]cn1)c1cccc(C(N)=O)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.35
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
MAP4K4 O95819 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
FGFR1 P11362 1/20 0.30
PDGFRA P16234 1/20 0.30
LTK P29376 1/20 0.30

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
SCHEMBL8099224 0.89 KDM4E (0.35) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL8089757 0.88
SCHEMBL8101718 0.81 PARP1 (0.38) PARP1KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL10402148 0.80 PARP1 (0.37) PARP1KDM4EALDH1A1MAPTHPGD
Water SCHEMBL9647014 0.80 PARP1 (0.37) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL9647187 0.80 ALDH1A1 (0.36) KDM4EALDH1A1MAPTHPGDTSHR
Hydrochloric Acid SCHEMBL10404503 0.79 PARP1 (0.36) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL8090361 0.78 CYP3A4 (0.32)
SCHEMBL8107056 0.78
SCHEMBL8096496 0.77

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
EP-0626372-B1 2-hydroxy-3-[1-(1H-imidazol-4-yl)alkyl]benzenecarboximid-amides for the treatment of glaucoma UCB SA (BE) 2000-12-20 EP claimed
EP-0626372-A1 2-hydroxy-3- 1-(1H-imidazol-4-yl)alkyl benzenecarboximid-amides for the treatment of glaucoma U C B, S.A. (BE) 1994-11-30 EP claimed
EP-0626372-B1 2-hydroxy-3-[1-(1H-imidazol-4-yl)alkyl]benzenecarboximid-amides for the treatment of glaucoma UCB SA (BE) 2000-12-20 EP disclosed
EP-0626372-A1 2-hydroxy-3- 1-(1H-imidazol-4-yl)alkyl benzenecarboximid-amides for the treatment of glaucoma U C B, S.A. (BE) 1994-11-30 EP disclosed