SCHEMBL7343452

SCHEMBL7343452

CCC1C(CCC(=O)O)=CC=C(Cl)C1(Cl)NC(=O)CNC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
GPR139 Q6DWJ6 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
LMNA P02545 2/20 0.34
BCHE P06276 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL7341117 0.80 ITGB3 (0.39) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL7347196 0.78 HTT (0.37) ITGB3ITGA2BSMN1; SMN2GPR139MEN1
SCHEMBL7341549 0.77
SCHEMBL7346229 0.76 ITGB3 (0.36) ITGB3ITGA2BSMN1; SMN2ALDH1A1LMNA
SCHEMBL7348597 0.75 ITGB3 (0.38) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL7346500 0.74 ITGB3 (0.60) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL7343459 0.74 KCNK3 (0.40) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL7339879 0.73 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL6773153 0.73 ITGB3 (0.55) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL7343615 0.73 SMN1; SMN2 (0.38) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A

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