SCHEMBL7369754

SCHEMBL7369754

CN=C(Nc1cccc(C(=O)NCC(=O)Nc2c(Cl)cc(Cl)cc2CCC(=O)O)c1)NC(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.48
ITGA5 P08648 2/20 0.48
GPR139 Q6DWJ6 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
ITGB3 P05106 5/20 0.38
ITGAV P06756 5/20 0.38
ITGB6 P18564 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ITGB5 P18084 1/20 0.37
ITGB8 P26012 1/20 0.37
ITGA8 P53708 1/20 0.37
ANO1 Q5XXA6 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4336179 0.82 SMN1; SMN2 (0.41) GPR139MEN1KMT2AATMITGB3
SCHEMBL7347348 0.80 KMT2A (0.38) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL7345600 0.80 NPC1 (0.39) MEN1KMT2AITGB3ITGAVITGB6
SCHEMBL7338744 0.80 LMNA (0.46) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL7343848 0.79 SMN1; SMN2 (0.38) ITGB1ITGA5MEN1KMT2AITGB3
SCHEMBL7343852 0.79 SMN1; SMN2 (0.38) ITGB1ITGA5MEN1KMT2AITGB3
SCHEMBL6778158 0.78 ITGB3 (0.48) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL7823048 0.78 ITGB3 (0.48) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL7343935 0.77 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL7349856 0.76 ITGB3 (0.46) ITGB1ITGA5MEN1KMT2AITGB3

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