SCHEMBL8182807

SCHEMBL8182807

NC(=NC(=O)c1cc2cc(Cl)ccc2[nH]1)NCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NHERF1 O14745 2/20 0.54
▸ PYGL P06737 5/20 0.52
▸ IDO1 P14902 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ F7 P08709 1/20 0.45
▸ F3 P13726 1/20 0.45
▸ HRH4 Q9H3N8 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ HTT P42858 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
Hydrochloric Acid SCHEMBL8687321 0.99 NHERF1 (0.53) NHERF1PYGLIDO1HDAC3HDAC1
Hydrochloric Acid SCHEMBL8687198 0.88 NHERF1 (0.55) NHERF1PYGLF7F3KDM4E
Hydrochloric Acid SCHEMBL8687837 0.85 NHERF1 (0.52) NHERF1PYGLIDO1HDAC3HDAC1
SCHEMBL17149770 0.83 NHERF1 (0.76) NHERF1PYGLHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL8689667 0.81 ALOX15 (0.52) NHERF1PYGLF7F3HRH4
SCHEMBL8170116 0.80 F7 (0.57) NHERF1PYGLF7F3HRH4
Hydrochloric Acid SCHEMBL8687326 0.79 ALOX15 (0.54) NHERF1PYGLHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL8692469 0.79 F7 (0.56) NHERF1PYGLF7F3HRH4
SCHEMBL7877880 0.78 F7 (0.55) NHERF1PYGLF7F3HRH4
Hydrochloric Acid SCHEMBL8689211 0.77 ALOX15 (0.56) PYGLHDAC3HDAC1HDAC2F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114393-A ADMINISTERING A BENZOYLGUANIDINE COMPOUND ANTIPROTOZOA AGENT HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-09-05 — — US claimed
US-6114393-A ADMINISTERING A BENZOYLGUANIDINE COMPOUND ANTIPROTOZOA AGENT HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-09-05 — — US disclosed
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