SCHEMBL7345104

SCHEMBL7345104

NN=CNc1cccc(C(=O)NCC(=O)NC2(CCC(=O)O)C=CSC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ITGA2B P08514 1/20 0.34
ITGB1 P05556 6/20 0.33
ITGAV P06756 6/20 0.33
ITGA5 P08648 6/20 0.33
MDM4 O15151 3/20 0.33
MDM2 Q00987 5/20 0.33
KMT2A Q03164 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
F10 P00742 2/20 0.33
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PRSS1 P07477 1/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL7343256 0.91 KMT2A (0.37) ITGB3SMN1; SMN2ITGAVKMT2AMITF
SCHEMBL7345087 0.88 SMN1; SMN2 (0.38) ITGB3SMN1; SMN2ITGA2BITGB1ITGAV
SCHEMBL7343247 0.78 EPHX2 (0.36) SMN1; SMN2KMT2AF10PRSS1MITF
SCHEMBL27502755 0.75 ITGB3 (0.41) ITGB3SMN1; SMN2ITGA2BITGB1ITGAV
SCHEMBL7348610 0.74 ITGB3 (0.33) ITGB3SMN1; SMN2ITGA2BITGB1ITGAV
SCHEMBL7347755 0.74 ITGB3 (0.43) ITGB3ITGB1ITGAVITGA5MDM4
SCHEMBL7341130 0.74 KMT2A (0.35) ITGB3SMN1; SMN2ITGA2BITGB1ITGAV
SCHEMBL7348831 0.73 ITGB3 (0.33) ITGB3SMN1; SMN2ITGA2BITGB1ITGAV
SCHEMBL7346999 0.72 ITGB3 (0.52) ITGB3SMN1; SMN2ITGA2BITGB1ITGAV
SCHEMBL7342060 0.72 EPHX2 (0.33) ITGB3SMN1; SMN2ITGA2BITGB1ITGAV

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