SCHEMBL8101718

SCHEMBL8101718

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.38
AURKA O14965 4/20 0.34
RPS6KB1 P23443 3/20 0.34
AURKB Q96GD4 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32

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
Water SCHEMBL9647014 0.99 PARP1 (0.37) PARP1AURKARPS6KB1AURKBIRAK4
Hydrochloric Acid SCHEMBL10402148 0.99 PARP1 (0.37) PARP1AURKARPS6KB1AURKBIRAK4
Hydrochloric Acid SCHEMBL10404503 0.97 PARP1 (0.36) PARP1AURKARPS6KB1AURKBIRAK4
SCHEMBL8095474 0.88 F2 (0.32) HPGDTSHR
SCHEMBL9647534 0.88 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHPGDTSHR
Water SCHEMBL8097685 0.87 F2 (0.31) HPGDTSHR
SCHEMBL10401661 0.82 TSHR (0.42) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL8105465 0.81 PARP1 (0.35) PARP1AURKAKDM4EALDH1A1MAPT
SCHEMBL9648193 0.81 RPS6KB1 (0.40) PARP1AURKARPS6KB1AURKBHTT
SCHEMBL9128752 0.81 FAAH (0.30) HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341231-B1 SUBSTITUTED 1-(1H-IMIDAZOL-4-YL)ALKYL BENZAMIDES U C B, S.A. (BE) 1992-11-19 EP claimed
US-4923865-A Substituted 1-(1H-imidazol-4-yl)alkyl-benzamides as anti-ischemics and as alpha-2-adrenergic receptor agonists U C B SOCIETE ANONYME (BE) 1990-05-08 US claimed
EP-0341231-A1 Substituted 1-(1H-imidazol-4-yl)alkyl benzamides U C B, S.A. (BE) 1989-11-08 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
EP-0341231-B1 SUBSTITUTED 1-(1H-IMIDAZOL-4-YL)ALKYL BENZAMIDES U C B, S.A. (BE) 1992-11-19 EP disclosed
US-4923865-A Substituted 1-(1H-imidazol-4-yl)alkyl-benzamides as anti-ischemics and as alpha-2-adrenergic receptor agonists U C B SOCIETE ANONYME (BE) 1990-05-08 US disclosed
EP-0341231-A1 Substituted 1-(1H-imidazol-4-yl)alkyl benzamides U C B, S.A. (BE) 1989-11-08 EP disclosed