SCHEMBL6687953

SCHEMBL6687953

N=C(N)NC(=O)c1ccc(Cl)cc1.N=C(N)NC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
EPHX1 P07099 1/20 0.54
POLB P06746 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
MAPT P10636 4/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
S1PR4 O95977 1/20 0.52
S1PR3 Q99500 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
PTGS2 P35354 2/20 0.51
HTT P42858 2/20 0.51
SCN5A Q14524 1/20 0.50
SCN2A Q99250 1/20 0.50

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
SCHEMBL8507058 0.93 LMNA (0.59) ALDH1A1NPC1RAB9AEPHX1POLB
SCHEMBL828586 0.89 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AEPHX1POLB
SCHEMBL1566720 0.87 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AEPHX1POLB
Hydrochloric Acid SCHEMBL27319280 0.87 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AEPHX1POLB
Hydrochloric Acid SCHEMBL6274668 0.87 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AEPHX1POLB
SCHEMBL28555938 0.85 CES2 (0.65) ALDH1A1NPC1RAB9ANPSR1EPHX1
SCHEMBL31387060 0.84 LMNA (0.53) ALDH1A1NPC1RAB9AEPHX1POLB
Fluoromethane SCHEMBL27359815 0.84 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AEPHX1POLB
Acetic Acid SCHEMBL27316996 0.84 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AEPHX1POLB
SCHEMBL7266574 0.83 ALDH1A1 (0.48) ALDH1A1POLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004189755-A SUBSTITUTED BENZOYLGUANIDINE AND METHOD FOR PRODUCING THE SAME HOECHST AG 2004-07-08 JP disclosed