SCHEMBL7836849

SCHEMBL7836849

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)c1cccc(OCC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.43
GPR139 Q6DWJ6 4/20 0.42
F7 P08709 3/20 0.42
NR1H4 Q96RI1 1/20 0.41
PLAU P00749 1/20 0.41
ITGB3 P05106 3/20 0.40
ITGA2B P08514 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 2/20 0.40
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGB5 P18084 1/20 0.39
ITGB6 P18564 1/20 0.39
ITGB8 P26012 1/20 0.39
ITGA8 P53708 1/20 0.39

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
SCHEMBL6779037 0.91 MAPK1 (0.48) PKMHTTLMNAMAPK1GPR139
SCHEMBL3839471 0.91 GPR139 (0.47) GPR139ITGB3ITGA2BKMT2AF2
SCHEMBL7339495 0.89 KMT2A (0.44) LMNAGPR139F7NR1H4PLAU
SCHEMBL7344055 0.88 F7 (0.46) GPR139F7SMN1; SMN2F2
SCHEMBL7341087 0.88 GPR139 (0.48) LMNAGPR139F7ITGB3KMT2A
SCHEMBL7338356 0.88 SMN1; SMN2 (0.44) HTTLMNAMAPK1GPR139F7
SCHEMBL7341726 0.87 GPR139 (0.42) LMNAGPR139F7ITGB3KMT2A
SCHEMBL7832122 0.86 ITGB3 (0.42) PKMHTTMAPK1GPR139F7
SCHEMBL7345189 0.86 F2 (0.42) GPR139F7PLAUITGB3ITGA2B
SCHEMBL7339148 0.85 F7 (0.44) HTTLMNAGPR139F7ITGB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed