SCHEMBL7969576

SCHEMBL7969576

CCCCCC(=O)NC(CNC(=O)CN1C(=O)NC(C)(c2ccc(C=NN)cc2)C1=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
ITGAV P06756 1/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7983190 0.87 ITGB3 (0.52) MAPK1HSD17B10KMT2AMEN1ITGB3
SCHEMBL7450451 0.85 ITGB3 (0.56) MAPK1HSD17B10KMT2AMEN1ITGB3
SCHEMBL7969570 0.85 ITGB3 (0.56) MAPK1HSD17B10KMT2AMEN1ITGB3
SCHEMBL7986514 0.85 ITGB3 (0.38) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7982940 0.82 KMT2A (0.46) MAPK1HSD17B10KMT2AMEN1ITGB3
Hydrochloric Acid SCHEMBL7983753 0.82 KMT2A (0.46) MAPK1HSD17B10KMT2AMEN1ITGB3
SCHEMBL7983202 0.82 ITGB3 (0.56) KMT2AMEN1ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL8492415 0.81 ITGB3 (0.55) KMT2AMEN1ITGB3ITGA2BITGAV
SCHEMBL7450458 0.80 CRHBP (0.35) KMT2AITGB3ITGA2BHPGDLMNA
SCHEMBL7980927 0.76 ITGB3 (0.54) KMT2AMEN1ITGB3ITGA2BGAA

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-6191282-B1 DERIVATIVES OF 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC RING IS USED AS ANTICARCINOGENIC AGENT AND ANTICOAGULANT HOECHST MARION ROUSSEL (DE) 2001-02-20 US disclosed
US-5981492-A ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed