SCHEMBL7344218

SCHEMBL7344218

N=C(N)Nc1cccc(C(=O)NCC(=O)NOC(=O)CCC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38
F10 P00742 2/20 0.38
PRSS1 P07477 1/20 0.38
F2 P00734 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CCR2 P41597 1/20 0.37
MAPT P10636 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
SCHEMBL7344227 0.84 HTT (0.40) HTTL3MBTL1MEN1KMT2AEPHX2
SCHEMBL7340024 0.79 ALDH1A1 (0.39) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7338177 0.77 TTR (0.43) HTTL3MBTL1MEN1KMT2AGAA
SCHEMBL7344206 0.77 HTT (0.48) HTTL3MBTL1MEN1KMT2AEPHX2
SCHEMBL7343748 0.77 MEN1 (0.46) HTTL3MBTL1MEN1KMT2AGAA
SCHEMBL7340904 0.76 F10 (0.46) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7339143 0.76 RXFP1 (0.48) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6773153 0.76 ITGB3 (0.55) HTTL3MBTL1MEN1KMT2AEPHX2
SCHEMBL7343738 0.76 PLK4 (0.47) HTTL3MBTL1MEN1KMT2AGAA
SCHEMBL7372871 0.76 PLK4 (0.50) MEN1KMT2AALDH1A1GAARXFP1

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
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed