SCHEMBL7348317

SCHEMBL7348317

COc1cc(CCC(=O)ONC(=O)CNC(=O)c2cccc(NC(=N)N)c2)cc(Br)c1OC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GALR3 O60755 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7340024 0.80 ALDH1A1 (0.39) LMNAHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL7338177 0.79 TTR (0.43) LMNAGAAMAPTKMT2AMEN1
SCHEMBL6783457 0.77 ITGB3 (0.45) LMNAHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7835669 0.76 ALDH1A1 (0.39) LMNAHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL7339725 0.76 ITGB3 (0.44) LMNAHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL7344218 0.74 HTT (0.46) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL6778093 0.74 LMNA (0.43) LMNAHPGDALDH1A1MAPTKMT2A
SCHEMBL7349763 0.71 ITGB3 (0.48) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL7348718 0.71 KMT2A (0.39) SMN1; SMN2ALDH1A1GAAMAPTKMT2A
SCHEMBL7347036 0.70 HPGD (0.42) LMNAHPGDSMN1; SMN2ALDH1A1MAPT

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