SCHEMBL6929988

SCHEMBL6929988

O=Cc1ccc(Sc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.61
ALDH1A1 P00352 6/20 0.57
PLA2G4A P47712 1/20 0.53
MAPT P10636 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALOX12 P18054 1/20 0.49
PDE7A Q13946 6/20 0.49
PDE7B Q9NP56 3/20 0.49
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
KDM4A O75164 1/20 0.45

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
SCHEMBL6930035 0.86 PLA2G4A (0.69) VCAM1ALDH1A1PLA2G4AMAPTMEN1
SCHEMBL6058010 0.81 ALDH1A1 (0.60) VCAM1ALDH1A1PLA2G4AMAPTMEN1
SCHEMBL18376679 0.81 PDE7A (0.62) VCAM1ALDH1A1PLA2G4AMAPTMEN1
SCHEMBL5661855 0.81 MAPT (0.72) VCAM1ALDH1A1PLA2G4AMAPTMEN1
SCHEMBL560001 0.77 VCAM1 (1.00) VCAM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28559170 0.77 MAPT (0.68) ALDH1A1PLA2G4AMAPTMEN1KMT2A
SCHEMBL27607595 0.77 ALDH1A1 (0.56) VCAM1ALDH1A1PLA2G4AMAPTMEN1
SCHEMBL6927148 0.77 ALDH1A1 (0.60) VCAM1ALDH1A1PLA2G4AMAPTMEN1
SCHEMBL20535359 0.77 ALDH1A1 (0.53) VCAM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6512918 0.76 ALDH5A1 (0.61) VCAM1ALDH1A1PLA2G4AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112638909-A Compounds with antibacterial activity 香港理工大学 2021-04-09 CN disclosed
US-6518268-B1 Telomerase inhibitors and methods of their use GERON CORPORATION 2003-02-11 US disclosed
WO-2001002377-A9 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORP (US) 2001-10-11 WO disclosed
EP-1109796-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE Geron Corporation (US) 2001-06-27 EP disclosed
WO-2001002377-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORPORATION (US) 2001-01-11 WO disclosed