SCHEMBL27503528

SCHEMBL27503528

N=C(N)NC(=N)NOC(=O)c1ccccc1C(=O)ONC(=N)NC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 3/20 0.39
HSD17B10 Q99714 2/20 0.39
KMT2A Q03164 1/20 0.39
CFTR P13569 1/20 0.39
MIF P14174 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 5/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 4/20 0.35
HPGD P15428 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL184146 0.84 ALDH1A1 (0.44) ALDH1A1MAPTPOLBHSD17B10KMT2A
SCHEMBL9699705 0.84 ALDH1A1 (0.59) ALDH1A1MAPTPOLBHSD17B10KMT2A
Hydrochloric Acid SCHEMBL28090977 0.82 ALDH1A1 (0.42) ALDH1A1MAPTPOLBHSD17B10KMT2A
SCHEMBL27991767 0.82 ALDH1A1 (0.44) ALDH1A1MAPTPOLBKMT2ATDP1
Hydrochloric Acid SCHEMBL29271905 0.82 ALDH1A1 (0.58) ALDH1A1MAPTPOLBHSD17B10KMT2A
SCHEMBL27524278 0.81 ALDH1A1 (0.46) ALDH1A1MAPTPOLBKMT2ATDP1
SCHEMBL27898396 0.78 ALDH1A1 (0.45) ALDH1A1MAPTPOLBHSD17B10KMT2A
SCHEMBL3073042 0.77 PLAU (0.39) ALDH1A1MAPTPOLBHSD17B10TSHR
SCHEMBL4684077 0.75 ALDH1A1 (0.53) ALDH1A1MAPTPOLBHSD17B10KMT2A
SCHEMBL10667678 0.74 ALDH1A1 (0.61) ALDH1A1MAPTPOLBHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1221339-A Use of inhibitors of cellular Na+/H+ exchanger (NHE) for preparing medicament for normalizing serum lipids HOECHST AG (DE) 1999-06-30 CN claimed
CN-1209995-A Use of sodium-hydrogen exchanger inhibitors for the production of a medicament for reducing the adverse effects of substances on the heart HOECHST MARION ROUSSEL DE GMBH (DE) 1999-03-10 CN claimed
CN-1195508-C Use of sodium-hydrogen exchanger inhibitors for the production of a medicament for reducing the adverse effects of substances on the heart AVENTIS PHARMA GMBH (DE) 2005-04-06 CN disclosed
CN-1221339-A Use of inhibitors of cellular Na+/H+ exchanger (NHE) for preparing medicament for normalizing serum lipids HOECHST AG (DE) 1999-06-30 CN disclosed
CN-1209995-A Use of sodium-hydrogen exchanger inhibitors for the production of a medicament for reducing the adverse effects of substances on the heart HOECHST MARION ROUSSEL DE GMBH (DE) 1999-03-10 CN disclosed