SCHEMBL9645443

SCHEMBL9645443

O=C(NO)c1cccc(Cc2c[nH]cn2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
LIG1 P18858 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
MMP3 P08254 1/20 0.36
HDAC6 Q9UBN7 6/20 0.33
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HMGB1 P09429 1/20 0.33
LMNA P02545 1/20 0.32
PDE5A O76074 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31

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 SCHEMBL10402113 0.99 MPO (0.37) MPOGAAKDM4ESMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL10401658 0.97 MPO (0.36) MPOGAAKDM4ESMN1; SMN2HIF1A
SCHEMBL9647526 0.89 PLK1 (0.38) GAAKDM4ESMN1; SMN2HMGB1LMNA
SCHEMBL9647479 0.89 P2RX7 (0.39) GAAKDM4EHMGB1ALOX5
Hydrochloric Acid SCHEMBL10402047 0.88 PLK1 (0.37) GAAKDM4ESMN1; SMN2HMGB1LMNA
SCHEMBL9518487 0.86 HMGB1 (0.48) GAAKDM4ESMN1; SMN2HMGB1LMNA
SCHEMBL8088780 0.85
Mivazerol SCHEMBL8097939 0.85 PARP1 (0.39) KDM4EHMGB1
Mivazerol SCHEMBL593708 0.85 PARP1 (0.39) KDM4EHMGB1
Hydrochloric Acid SCHEMBL10401999 0.85 HMGB1 (0.47) GAAKDM4ESMN1; SMN2HMGB1LMNA

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
EP-0341231-B1 SUBSTITUTED 1-(1H-IMIDAZOL-4-YL)ALKYL BENZAMIDES U C B, S.A. (BE) 1992-11-19 EP disclosed
EP-0341231-A1 Substituted 1-(1H-imidazol-4-yl)alkyl benzamides U C B, S.A. (BE) 1989-11-08 EP disclosed