SCHEMBL9226136

SCHEMBL9226136

O=[N+]([O-])c1cc(Cl)c(O)c(Cl)c1Cl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.74
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
PKM P14618 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSP90AA1 P07900 1/20 0.53
OPRK1 P41145 1/20 0.53
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 4/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP3A4 P08684 2/20 0.47
VCAM1 P19320 2/20 0.46

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
SCHEMBL9115584 0.85 GPR35 (1.00) GPR35TDP1ALDH1A1KDM4EMEN1
SCHEMBL10707864 0.84 GPR35 (0.58) GPR35TDP1ALDH1A1KDM4EMEN1
SCHEMBL31053019 0.83 GPR35 (0.74) GPR35TDP1ALDH1A1KDM4EMEN1
SCHEMBL5041429 0.82 GPR35 (0.53) GPR35TDP1ALDH1A1KDM4EMEN1
SCHEMBL3650611 0.80 TDP1 (0.61) GPR35TDP1ALDH1A1TSHRHPGD
SCHEMBL29939725 0.80 TDP1 (0.61) GPR35TDP1ALDH1A1TSHRHPGD
SCHEMBL9193512 0.78 GPR35 (0.56) GPR35TDP1ALDH1A1KDM4EMEN1
SCHEMBL9477786 0.77 GPR35 (0.47) GPR35TDP1ALDH1A1KDM4EMEN1
SCHEMBL8654568 0.77 GPR35 (0.71) GPR35TDP1ALDH1A1MEN1MAPT
SCHEMBL11589861 0.77 GPR35 (0.64) GPR35TDP1ALDH1A1KDM4EMEN1

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
EP-0411159-B1 METHOD FOR DETERMINING ENZYMATIC ACTIVITY IATRON LAB (JP) 1995-11-22 EP disclosed
US-5350677-A Sampling and reaction, measuring color IATRON LABORATORIES, INC. (JP) 1994-09-27 US disclosed
EP-0411159-A1 METHOD FOR DETERMINING ENZYMATIC ACTIVITY IATRON LABORATORIES, INC. (JP) 1991-02-06 EP disclosed
US-4983512-A HALONITROPHENYLPHOSPHORIC ACID; DIAGNOSIS OF PROSTATE DISEASES TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-01-08 US disclosed
US-4723043-A Nitration of phenolic compounds RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-02-02 US disclosed