SCHEMBL6950412

SCHEMBL6950412

O=[C]Cc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HIF1A Q16665 1/20 0.55
VCAM1 P19320 1/20 0.51
LMNA P02545 7/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 1/20 0.41
MMP2 P08253 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40

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
SCHEMBL16096926 0.86 ALDH1A1 (0.51) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL31347501 0.86 ALDH1A1 (0.51) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL6947524 0.85 TSHR (0.47) ALDH1A1HIF1AATMTDP1HTT
SCHEMBL14880650 0.83 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL3120356 0.81 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL291089 0.81 POLB (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL855601 0.80 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL14899811 0.80 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL31023151 0.80 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL4124874 0.80 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230223-B1 OLIGOBENZIMIDAZOLE DERIVATIVES AND THEIR USE AS DNA TRANSFECTION AGENTS AVENTIS PHARMA SA (FR) 2004-02-25 EP disclosed
EP-1230223-A1 OLIGOBENZIMIDAZOLE DERIVATIVES AND THEIR USE AS DNA TRANSFECTION AGENTS Aventis Pharma S.A. (FR) 2002-08-14 EP disclosed
WO-2001032630-A1 OLIGOBENZIMIDAZOLE DERIVATIVES AND THEIR USE AS DNA TRANSFECTION AGENTS AVENTIS PHARMA S.A. (FR) 2001-05-10 WO disclosed