SCHEMBL7367941

SCHEMBL7367941

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC[N+](CC(=O)O)(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ALOX15 P16050 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL2597556 0.83 TDP1 (0.44) CYP2C19TSHRKDM4ELMNACHRM2
SCHEMBL668012 0.82 TDP1 (0.41) CYP2C19TSHRKDM4ELMNACHRM2
SCHEMBL8664094 0.79 KCNH2 (0.60) KCNH2CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL1230833 0.76 HSD17B10 (0.39) CYP2C19TSHRKDM4ELMNACHRM2
SCHEMBL5553832 0.75 CA1 (0.46) CA1CA2CA4CA12CA9
SCHEMBL8421520 0.74 KCNH2 (0.59) KCNH2CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL9344808 0.72 CA1 (0.64) KCNH2ALDH1A1CA1CA2CA4
SCHEMBL16113686 0.70 TDP1 (0.58) CYP2C19TSHRKDM4ELMNACHRM2
SCHEMBL17029337 0.70 ALDH1A1 (0.57) KCNH2CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL10494760 0.69 KCNH2 (0.49) KCNH2CYP2C19CYP1A2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355860-A1 A bifunctional metal chelating agent and a precursor compound GANSOW, Otto A. (US) 1990-02-28 EP claimed
EP-0315220-A1 Method of forming a metal chelate protein conjugate GANSOW, Otto A. (US) 1989-05-10 EP claimed
US-5670479-A α-ketoamide derivatives as inhibitors of thrombosis CORVAS INTERNATIONAL, INC. (US) 1997-09-23 US disclosed
US-5656600-A MODIFIED POLYPEPTIDES CORVAS INTERNATIONAL, INC. (US) 1997-08-12 US disclosed
EP-0693083-A4 ALPHA-KETOAMIDE DERIVATIVES AS INHIBITORS OF THROMBOSIS CORVAS INT INC (US) 1996-07-17 EP disclosed
EP-0693083-A1 ALPHA-KETOAMIDE DERIVATIVES AS INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1996-01-24 EP disclosed
WO-1994021673-A1 ALPHA-KETOAMIDE DERIVATIVES AS INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1994-09-29 WO disclosed
US-4824986-A Metal chelate protein conjugate THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1989-04-25 US disclosed
EP-0220279-A1 METHOD OF FORMING A METAL CHELATE PROTEIN CONJUGATE GANSOW, Otto A. (US) 1987-05-06 EP disclosed
WO-1986006384-A1 METHOD OF FORMING A METAL CHELATE PROTEIN CONJUGATE GANSOW OTTO A (US) 1986-11-06 WO disclosed