SCHEMBL8155992

SCHEMBL8155992

CCOc1cncc([N+](=O)[O-])c1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4C Q9H3R0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.42
AOC3 Q16853 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.40
ADH5 P11766 3/20 0.40
TACR3 P29371 2/20 0.40
SIRT1 Q96EB6 1/20 0.40
GAA P10253 1/20 0.40
GRM8 O00222 3/20 0.39
GRM4 Q14833 3/20 0.39
CHIA Q9BZP6 1/20 0.39

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
SCHEMBL5656200 0.76 GPR35 (0.56) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL845794 0.75 GPR35 (0.58) MAPTKMT2AMEN1ALDH1A1KDM4C
SCHEMBL28087330 0.75 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL3488943 0.75 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4594918 0.74 MAPT (0.46) MAPTKMT2AMEN1ALDH1A1KDM4C
Hydrochloric Acid SCHEMBL3276016 0.74 ALDH1A1 (0.49) MAPTKMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL2967978 0.74 LMNA (0.49) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL8373830 0.73 KMT2A (0.53) MAPTKMT2AMEN1ALDH1A1KDM4C
Nitric Acid SCHEMBL845820 0.73 ALDH1A1 (0.55) MAPTKMT2AMEN1ALDH1A1KDM4C
SCHEMBL25959031 0.73 LMNA (0.45) MAPTKMT2AMEN1ALDH1A1L3MBTL1

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
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 US disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed
EP-0526093-A1 New non-steroidal agents as 5-alpha reductase inhibitors MERCK & CO. INC. (US) 1993-02-03 EP disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed
WO-1992016213-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed