SCHEMBL7277743

SCHEMBL7277743

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)N)cc3)cc2)N(c2ccccn2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
TMPRSS15 P98073 4/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL7277206 0.91 ITGB3 (0.55) ITGB3ITGA2BMEN1KMT2ARXFP1
Hydrochloric Acid SCHEMBL7284961 0.88 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7287496 0.87 SLC11A2 (0.39) MEN1KMT2AHPGDMAPT
SCHEMBL7286834 0.87 ITGB3 (0.43) ITGB3ITGA2BTMPRSS15HRH3ALDH1A1
Hydrochloric Acid SCHEMBL7282119 0.85 ITGB3 (0.46) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7273747 0.84 ITGB3 (0.45) ITGB3ITGA2BTMPRSS15ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7280378 0.84 ITGB3 (0.43) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7273888 0.84 ITGB3 (0.43) ITGB3ITGA2BALDH1A1NPSR1
Hydrochloric Acid SCHEMBL7273623 0.83 ITGB3 (0.43) ITGB3ITGA2BMEN1KMT2ATMPRSS15
Hydrochloric Acid SCHEMBL7282175 0.83 ITGB3 (0.42) ITGB3ITGA2BMAPT

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
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed