SCHEMBL8715224

SCHEMBL8715224

N=C(OC/C=C/c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.49
FBP1 P09467 2/20 0.48
VCP P55072 1/20 0.48
CYP19A1 P11511 1/20 0.48
MAPT P10636 3/20 0.46
CACNA1B Q00975 2/20 0.45
MAOB P27338 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
CACNA1H O95180 1/20 0.43
NR3C1 P04150 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
TBXA2R P21731 1/20 0.43
HTT P42858 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL8715226 1.00 NFE2L2 (0.49) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL11044219 0.79 NFE2L2 (0.63) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL8869633 0.78 NFE2L2 (0.46) NFE2L2FBP1MAPTCACNA1BKMT2A
SCHEMBL8869636 0.78 NFE2L2 (0.46) NFE2L2FBP1MAPTCACNA1BKMT2A
SCHEMBL8718564 0.77 IDO1 (0.49) MAPTCACNA1BMAOBALDH1A1KMT2A
SCHEMBL8718561 0.77 IDO1 (0.49) MAPTCACNA1BMAOBALDH1A1KMT2A
SCHEMBL18551756 0.76 NFE2L2 (0.61) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL28270163 0.76 GLO1 (0.50) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL4965486 0.76 RAB9A (0.53) MAPTMAOBALDH1A1KMT2AKDM4E
SCHEMBL4632191 0.74 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722448-A4 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO INC (US) 1998-04-29 EP disclosed
US-5693648-A TREATMENT OF AUTOIMMUNE DISEASES, INFECTIOUS DISEASES, PREVENTING REJECTION OF ORGAN TRANSPLANTS MERCK & CO., INC. (US) 1997-12-02 US disclosed
US-5565560-A TREATING AUTOIMMUNE DISEASES, PREVENTING TRANSPLANT REJECTION MERCK & CO., INC. (US) 1996-10-15 US disclosed
EP-0722448-A1 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO. INC. (US) 1996-07-24 EP disclosed
US-5532248-A O-aryl,O-alkyl, and O-alkenyl-macrolides having immunosuppressive activity MERCK CO., INC. (US) 1996-07-02 US disclosed
WO-1995009857-A1 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-04-13 WO disclosed
US-5250678-A For autoimmune, infectious diseases, organ transplant rejection; skin diseases, antiinflammatory agents MERCK & CO., INC. (US) 1993-10-05 US disclosed
EP-0515071-A2 O-aryl, O-alkyl, O-alkenyl and O-alkynylmacrolides having immunosuppressive activity MERCK & CO. INC. (US) 1992-11-25 EP disclosed