SCHEMBL7644528

SCHEMBL7644528

O=C(Cl)OCCc1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 8/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR35 Q9HC97 1/20 0.38
LMNA P02545 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.36
HSPB1 P04792 1/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL7644933 0.90 GPR35 (0.43) MAPTALDH1A1GPR35LMNANPC1
SCHEMBL7646940 0.84 ALDH1A1 (0.46) MAPTPOLBMAPK1ALDH1A1CYP1A2
SCHEMBL7643476 0.83 ALDH1A1 (0.40) MAPTPOLBALDH1A1CYP1A2GPR35
SCHEMBL8912343 0.78 ALDH1A1 (0.40) MAPTPOLBMAPK1ALDH1A1CYP1A2
SCHEMBL5682398 0.78 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP2D6HPGDCYP2C19
SCHEMBL7646920 0.77 GPR35 (0.46) MAPTPOLBMAPK1ALDH1A1CYP1A2
SCHEMBL29701589 0.77 GPR35 (0.46) MAPTPOLBMAPK1ALDH1A1CYP1A2
SCHEMBL8912340 0.77 ALDH1A1 (0.39) MAPTPOLBMAPK1ALDH1A1CYP1A2
SCHEMBL4051970 0.77 FBP1 (0.54) ALDH1A1GPR35LMNAKMT2AMEN1
SCHEMBL5696593 0.76 MAPT (0.43) MAPTALDH1A1CYP1A2CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797580-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2002-04-10 EP disclosed
US-5763599-A FOR LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON DNA CHIP Pfleiderer, Wolfgang (DE) 1998-06-09 US disclosed
EP-0797580-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1997-10-01 EP disclosed
WO-1996018634-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1996-06-20 WO disclosed