SCHEMBL7340563

SCHEMBL7340563

CC(C)(C)OC(=O)CCC1SC=CC1(C)NC(=O)CNC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.35
F2 P00734 5/20 0.34
TMPRSS6 Q8IU80 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
PTPRC P08575 2/20 0.34
GAA P10253 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F10 P00742 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7340450 0.89 HTT (0.37) RXFP1ALDH1A1GAAMAPTMEN1
SCHEMBL7340566 0.88 PTPRC (0.33) RXFP1ALDH1A1POLBANO1PTPRC
SCHEMBL7343615 0.71 SMN1; SMN2 (0.38) RXFP1ALDH1A1GAAMEN1KMT2A
SCHEMBL7453096 0.71 LMNA (0.48) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL7343247 0.70 EPHX2 (0.36) RXFP1F2ALDH1A1GAAMAPT
SCHEMBL8524728 0.69 PRMT5 (0.42) F2TMPRSS6PTPRCPRMT5WDR77
SCHEMBL6778844 0.69 PTPRC (0.37) F2TMPRSS6ALDH1A1POLBPTPRC
SCHEMBL7339143 0.68 RXFP1 (0.48) RXFP1ALDH1A1POLBGAAMEN1
SCHEMBL26049628 0.68 NPSR1 (0.46) RXFP1ALDH1A1GAAMEN1KMT2A
SCHEMBL7348070 0.68 HTT (0.38) RXFP1GAAMEN1KMT2ASMN1; SMN2

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