SCHEMBL7343247

SCHEMBL7343247

COC(=O)CCC1(NC(=O)CNC(=O)c2cccc(NC(=N)N)c2)C=CSC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 4/20 0.35
ALDH1A1 P00352 3/20 0.34
PRSS1 P07477 2/20 0.34
F2 P00734 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
CHUK O15111 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ROCK2 O75116 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
SCHEMBL7345087 0.91 SMN1; SMN2 (0.38) EPHX2SMN1; SMN2F10PRSS1MEN1
SCHEMBL7343256 0.87 KMT2A (0.37) EPHX2MITFLMNASMN1; SMN2ALDH1A1
SCHEMBL7345104 0.78 ITGB3 (0.34) MITFLMNASMN1; SMN2F10PRSS1
SCHEMBL6779650 0.72 GPR139 (0.43) ALDH1A1F2MEN1KMT2ARAB9A
SCHEMBL7339143 0.71 RXFP1 (0.48) SMN1; SMN2F10ALDH1A1PRSS1MEN1
SCHEMBL7372871 0.70 PLK4 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL7340450 0.70 HTT (0.37) EPHX2LMNASMN1; SMN2F10ALDH1A1
SCHEMBL7340563 0.70 RXFP1 (0.35) EPHX2SMN1; SMN2F10ALDH1A1PRSS1
SCHEMBL7832432 0.69 GAA (0.47) SMN1; SMN2F10ALDH1A1PRSS1MEN1
SCHEMBL7341050 0.69 ALDH1A1 (0.37) LMNASMN1; SMN2ALDH1A1MEN1KMT2A

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