SCHEMBL7983190

SCHEMBL7983190

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.52
ITGAV P06756 2/20 0.52
ITGA2B P08514 2/20 0.52
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 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
SCHEMBL7969576 0.87 MAPK1 (0.43) ITGB3ITGAVITGA2BMAPK1HSD17B10
SCHEMBL7443843 0.86 ITGB3 (0.53) ITGB3ITGAVITGA2BMAPK1HSD17B10
SCHEMBL7983182 0.86 ITGB3 (0.53) ITGB3ITGAVITGA2BMAPK1HSD17B10
SCHEMBL7982805 0.85 ITGB3 (0.49) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL7983753 0.82 KMT2A (0.46) ITGB3ITGA2BMAPK1HSD17B10KMT2A
Hydrochloric Acid SCHEMBL7982940 0.82 KMT2A (0.46) ITGB3ITGA2BMAPK1HSD17B10KMT2A
SCHEMBL7443855 0.81 ITGB3 (0.36) ITGB3ITGAVITGA2B
SCHEMBL7983202 0.79 ITGB3 (0.56) ITGB3ITGAVITGA2BKMT2AMEN1
Hydrochloric Acid SCHEMBL8492415 0.78 ITGB3 (0.55) ITGB3ITGAVITGA2BKMT2AMEN1
SCHEMBL8481433 0.75 KMT2A (0.57) KMT2AMEN1L3MBTL1

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 1 patent. 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