SCHEMBL7384656

SCHEMBL7384656

COC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)SC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 2/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.45
HTR2A P28223 1/20 0.44
IDO1 P14902 1/20 0.43
MAOB P27338 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
SCHEMBL10508043 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPK1HTTRAB9A
SCHEMBL3591284 0.84 L3MBTL1 (0.44) ALDH1A1L3MBTL1MAPK1HTTRAB9A
SCHEMBL3591287 0.84 L3MBTL1 (0.44) ALDH1A1L3MBTL1MAPK1HTTRAB9A
SCHEMBL18776419 0.78 IDO1 (0.53) ALDH1A1HTTRAB9AMAPTHTR2A
SCHEMBL8849150 0.77 IDO1 (0.56) ALDH1A1HTTRAB9AMAPTHTR2A
SCHEMBL8849145 0.77 IDO1 (0.56) ALDH1A1HTTRAB9AMAPTHTR2A
SCHEMBL6141208 0.76 HTR2A (0.64) ALDH1A1L3MBTL1MAPK1HTTRAB9A
SCHEMBL4567587 0.76 MAOB (0.59) ALDH1A1HTTRAB9AMAPTHTR2A
SCHEMBL10730559 0.75 RAB9A (0.51) ALDH1A1HTTRAB9AMAOB
SCHEMBL10730567 0.75 RAB9A (0.51) ALDH1A1HTTRAB9AMAOB

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
US-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed
US-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 EP disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP disclosed
EP-0144825-B1 CYCLIC GUANIDINYL THIO CARBAPENEMS MERCK & CO. INC. (US) 1989-07-05 EP disclosed
US-4717728-A ANTIBIOTICS MERCK & CO., INC. (US) 1988-01-05 US disclosed
EP-0144825-A1 Cyclic guanidinyl thio carbapenems MERCK & CO. INC. (US) 1985-06-19 EP disclosed