SCHEMBL9518487

SCHEMBL9518487

O=C(O)c1cccc(Cc2c[nH]cn2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 2/20 0.48
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALB P02768 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP2 P08253 1/20 0.39
HNF4A P41235 1/20 0.37
PTPN1 P18031 4/20 0.37
PTPN2 P17706 2/20 0.37
PTPN6 P29350 2/20 0.37
GAA P10253 1/20 0.37
NAPRT Q6XQN6 1/20 0.35
CXCL12 P48061 1/20 0.35
TSHR P16473 1/20 0.35
FOLH1 Q04609 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
Hydrochloric Acid SCHEMBL10401999 0.99 HMGB1 (0.47) HMGB1ALDH1A1KDM4EALBHPGD
Mivazerol SCHEMBL593708 0.87 PARP1 (0.39) HMGB1ALDH1A1KDM4EHPGDHSD17B10
Mivazerol SCHEMBL8097939 0.87 PARP1 (0.39) HMGB1ALDH1A1KDM4EHPGDHSD17B10
Mivazerol SCHEMBL8865135 0.86 PARP1 (0.38) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9647479 0.86 P2RX7 (0.39) HMGB1ALDH1A1KDM4EGAAMEN1
SCHEMBL9647526 0.86 PLK1 (0.38) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9645443 0.86 MPO (0.38) HMGB1KDM4EGAALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL10402047 0.85 PLK1 (0.37) HMGB1ALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL10402113 0.85 MPO (0.37) HMGB1KDM4EGAALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL10401658 0.84 MPO (0.36) HMGB1KDM4EGAALMNASMN1; SMN2

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-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP claimed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP claimed
EP-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 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
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed