SCHEMBL7700493

SCHEMBL7700493

C/C(=N/OCC(=O)NCC(NS(=O)(=O)c1cccc(C)c1)C(=O)O)c1ccc(C(=N)N)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 13/20 0.47
▸ ITGA2B P08514 12/20 0.47
▸ F2 P00734 4/20 0.41
▸ ITGAV P06756 3/20 0.41
▸ TMPRSS6 Q8IU80 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ HPN P05981 1/20 0.40

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
SCHEMBL7700495 1.00 ITGB3 (0.47) ITGB3ITGA2BF2ITGAVTMPRSS6
SCHEMBL7697072 0.92 F2 (0.41) ITGB3ITGA2BF2TMPRSS6HPGD
SCHEMBL7702509 0.92 ITGB3 (0.48) ITGB3ITGA2BF2ITGAV
SCHEMBL7702515 0.92 ITGB3 (0.48) ITGB3ITGA2BF2ITGAV
SCHEMBL7697141 0.87 ITGB3 (0.45) ITGB3ITGA2BF2ITGAVTMPRSS6
SCHEMBL7697136 0.87 ITGB3 (0.45) ITGB3ITGA2BF2ITGAVTMPRSS6
SCHEMBL7748714 0.81 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL7702513 0.80 ITGB3 (0.47) ITGB3ITGA2BF2ITGAVTMPRSS6
SCHEMBL7702507 0.80 ITGB3 (0.47) ITGB3ITGA2BF2ITGAVTMPRSS6
SCHEMBL7703837 0.80 ALDH1A1 (0.45) F2ITGAVHPGD

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-6348504-B1 COMPOUNDS WITH AMIDINE OR GUANIDINE GROUPS AND CARBOXY OR ESTER GROUPS THROMBOLYTICS AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS. DUPONT PHARMACEUTICALS COMPANY 2002-02-19 — — US disclosed
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