SCHEMBL7340566

SCHEMBL7340566

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL7340563 0.88 RXFP1 (0.35) PTPRCSMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL7340450 0.78 HTT (0.37) SMN1; SMN2MEN1KMT2ARXFP1ITGB3
SCHEMBL7343256 0.71 KMT2A (0.37) SMN1; SMN2MEN1KMT2AITGB3ITGAV
SCHEMBL7345104 0.69 ITGB3 (0.34) SMN1; SMN2MEN1KMT2AITGB3ITGAV
SCHEMBL7344227 0.68 HTT (0.40) SMN1; SMN2MEN1KMT2AMAPK1ALDH1A1
SCHEMBL7379459 0.67 PTGS2 (0.39) MEN1KMT2AITGB3ITGAV
SCHEMBL7414335 0.67 NR1H4 (0.42) SMN1; SMN2MEN1KMT2AITGB3ITGAV
SCHEMBL6778846 0.67 KMT2A (0.36) PTPRCSMN1; SMN2MEN1KMT2AITGB3
SCHEMBL6778203 0.67 CTSS (0.47) SMN1; SMN2ITGB3ITGAVMAPK1ALDH1A1
SCHEMBL7835688 0.66 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1POLB

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