SCHEMBL5186181

SCHEMBL5186181

O=[N+]([O-])c1ccccc1CCCl

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
TSHR P16473 1/20 0.74
HPGD P15428 1/20 0.56
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 1/20 0.45
ACHE P22303 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL3202573 0.87 ALDH1A1 (0.72) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL69613 0.85 ALDH1A1 (1.00) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL30261877 0.85 ALDH1A1 (1.00) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL3849609 0.83 TDP1 (0.60) ALDH1A1TSHRHPGDNPC1SMN1; SMN2
SCHEMBL249845 0.81 ALDH1A1 (0.64) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL301933 0.80 ALDH1A1 (0.69) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL876143 0.80 ALDH1A1 (0.58) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL5583985 0.80 ALDH1A1 (0.62) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL1814444 0.79 ALDH1A1 (0.62) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL249846 0.79 ALDH1A1 (0.68) ALDH1A1TSHRHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771069-A1 N-(2-(HYDROXYMETHYL) PHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MICROBICIDAL ACTIVE INGREDIENTS FOR PHYTO-PROTECTION AND THE PROTECTION OF MATERIALS Bayer CropScience Aktiengesellschaft (DE) 2007-04-11 EP disclosed
WO-2005074686-A1 N-(2-(HYDROXYMETHYL) PHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MICROBICIDAL ACTIVE INGREDIENTS FOR PHYTO-PROTECTION AND THE PROTECTION OF MATERIALS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed
EP-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0901501-B1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2001-10-17 EP disclosed
US-6153744-A LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON A DNA CHIP WOLFGANG PFLEIDERER (DE) 2000-11-28 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed
EP-0901501-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1999-03-17 EP disclosed
WO-1997044345-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1997-11-27 WO disclosed