SCHEMBL725

SCHEMBL725

O=[N+]([O-])c1ccc(Cn2c(CO)cnc2S)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
SRC P12931 2/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
NOX4 Q9NPH5 1/20 0.45
TSHR P16473 1/20 0.44
P2RX4 Q99571 1/20 0.44
AR P10275 1/20 0.43
CYP19A1 P11511 1/20 0.43
TGM2 P21980 1/20 0.42
POLB P06746 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL622 0.82 POLB (0.66) KDM4ESMN1; SMN2ALDH1A1L3MBTL1SRC
SCHEMBL444 0.82 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2ALDH1A1L3MBTL1SRC
SCHEMBL8126668 0.79 MAPK1 (0.54) KDM4ESMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL8170527 0.73 CYP11B1 (0.58) KDM4ESMN1; SMN2ALDH1A1L3MBTL1TSHR
SCHEMBL10425561 0.70 KMT2A (0.55) KDM4ESMN1; SMN2ALDH1A1CYP19A1POLB
SCHEMBL7252343 0.69 MAPK1 (0.40) POLBKMT2AMAPK1
Paranitrobenzyl Alcohol SCHEMBL114620 0.69 TSHR (0.69) ALDH1A1TSHRPOLB
SCHEMBL11102018 0.69 PTGDR2 (0.53) KDM4EALDH1A1L3MBTL1P2RX4AR
SCHEMBL11374172 0.69 TGM2 (0.44) SMN1; SMN2ALDH1A1L3MBTL1SRCPRKACA
SCHEMBL4829087 0.68 HTT (0.60) ALDH1A1TSHRCYP19A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140508-A USEFUL IN THE PREPARATION OF FARNESYL-PROTEIN TRANSFERASE INHIBITORS. MERCK & CO., INC. (US) 2000-10-31 US disclosed
EP-0733366-B1 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics DU PONT (US) 1998-04-01 EP disclosed
EP-0324377-B1 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids DU PONT (US) 1997-04-16 EP disclosed
EP-0733366-A2 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-25 EP disclosed
EP-0253310-B1 Angiotensin II receptor blocking imidazoles DU PONT (US) 1994-10-26 EP disclosed
US-5155118-A Administering angiotensin inhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-13 US disclosed
US-5153197-A Treatment of hypertension with angiotensin II blocking imidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 US disclosed
US-5138069-A Treating hypertension and congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO disclosed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP disclosed