SCHEMBL7420056

SCHEMBL7420056

CCOC(=O)CC(NC(=O)CC1CCCN(c2ccc(C=NN)cc2)C1=O)c1ccsc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
KMT2A Q03164 2/20 0.30

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
SCHEMBL7423992 0.90 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7410872 0.89 LMNA (0.42) LMNAITGB3ITGA2BMEN1ALDH1A1
SCHEMBL7532341 0.87 POLB (0.42) LMNAMEN1ALDH1A1KMT2A
SCHEMBL7420050 0.87 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7533398 0.86 LMNA (0.33) LMNAITGB3ITGA2BMEN1ALDH1A1
SCHEMBL7421037 0.85 ITGB3 (0.36) ITGB3ITGA2BMEN1ALDH1A1KMT2A
SCHEMBL7418875 0.85 ITGB3 (0.36) ITGB3ITGA2BMEN1ALDH1A1KMT2A
SCHEMBL7421979 0.84 LMNA (0.44) LMNAITGB3ITGA2BMEN1ALDH1A1
SCHEMBL7421599 0.84 SMN1; SMN2 (0.36) LMNAITGB3ITGA2BALDH1A1KMT2A
SCHEMBL7419044 0.83 ITGB3 (0.34) ITGB3ITGA2BMEN1ALDH1A1KMT2A

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-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed