SCHEMBL8925933

SCHEMBL8925933

O=C(Oc1ccccc1)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.60
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
TBXA2R P21731 1/20 0.52
SLC6A2 P23975 1/20 0.52
PDE4A P27815 1/20 0.52
ADRA1A P35348 1/20 0.52
KDR P35968 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL11771353 0.88 KMT2A (0.57) ALOX5KMT2AALDH1A1HPGDALOX15
SCHEMBL7091491 0.84 GAA (0.69) ALOX5KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL31185239 0.84 ALOX5 (0.58) ALOX5KMT2AALDH1A1HPGDMAPT
SCHEMBL2823735 0.82 ALDH1A1 (0.68) ALOX5KMT2AALDH1A1HPGDALOX15
SCHEMBL11179642 0.82 ALOX5 (0.68) ALOX5KMT2AALDH1A1HPGDALOX15
SCHEMBL7086047 0.81 MAPT (0.73) ALOX5KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7091499 0.81 ALOX5 (0.58) ALOX5KMT2AALDH1A1HPGDMAPT
SCHEMBL12919780 0.81 HPGD (0.59) ALOX5KMT2AALDH1A1HPGDALOX15
SCHEMBL11069867 0.80 ALOX5 (0.61) ALOX5KMT2AALDH1A1HPGDALOX15
SCHEMBL27529813 0.80 ALOX5 (0.57) ALOX5KMT2AALDH1A1HPGDMAPT

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
WO-2017172930-A1 PBD CONJUGATES FOR TREATING DISEASES ENDOCYTE, INC. (US) 2017-10-05 WO disclosed
US-5674666-A EXPOSING THE LIGHT SENSITIVE SILVER HALIDE EMULSION LAYER HAVING ASSOCIATED THEREWITH A CYAN DYE FORMING COUPLER WITH AN OXIDIZED COLOR DEVELOPING AGENT EASTMAN KODAK COMPANY (US) 1997-10-07 US disclosed
US-5661219-A AN ACRYLIC COPOLYMER HAVING CARBOXY GROUPS BLOCKED BY A VINYL ETHER, A REACTIVE POLYMER, E.G.HAVING EPOXY GROUPS, AND LEWIS ACID-COMPLEX CATALYST; HIGH SOLIDS; LOW TEMPERATURE CURING; STORAGE STABILITY; MECHANICAL PROPERTIES NOF CORPORATION (JP) 1997-08-26 US disclosed
US-5643896-A TREATMENT OF MENOPAUSE SYMPTOMS, OSTEOPOROSIS, CARDIOVASCULAR DISORDERS OR ESTROGEN DEPENDENT CANCER ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
WO-1996026935-A1 2-BENZYL-3-ARYLBENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1996-09-06 WO disclosed
EP-0729955-A1 2-Benzyl-3-Arylbenzothiophenes useful for the treatment of post-menopausal syndrome ELI LILLY AND COMPANY (US) 1996-09-04 EP disclosed
US-5552401-A CARDIOVASCULAR DISORDERS, OSTEOPOROSIS AND ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5459139-A Antitumor agents, anticholesterol agents, antiestrogens, treatment of breast cancer NATIONAL UNIVERSITY OF SINGAPORE (SG) 1995-10-17 US disclosed
US-5354861-A Binds to antiestrogen binding sites; antiproliferative activity NATIONAL UNIVERSITY OF SINGAPORE (SG) 1994-10-11 US disclosed