SCHEMBL7697136

SCHEMBL7697136

Cc1cccc(S(=O)(=O)NC(CNC(=O)CO/N=C/c2ccc(C(=N)N)cc2)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.45
▸ ITGA2B P08514 11/20 0.45
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ITGAV P06756 2/20 0.40
▸ F2 P00734 4/20 0.40
▸ TMPRSS6 Q8IU80 2/20 0.40
▸ PLAU P00749 1/20 0.39
▸ HPN P05981 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
SCHEMBL7697141 1.00 ITGB3 (0.45) ITGB3ITGA2BMAPTKDM4EMEN1
SCHEMBL7702556 0.93 MAPT (0.41) ITGB3ITGA2BMAPTKDM4EMEN1
SCHEMBL7702564 0.93 MAPT (0.41) ITGB3ITGA2BMAPTKDM4EMEN1
SCHEMBL7702513 0.92 ITGB3 (0.47) ITGB3ITGA2BITGAVF2TMPRSS6
SCHEMBL7702507 0.92 ITGB3 (0.47) ITGB3ITGA2BITGAVF2TMPRSS6
SCHEMBL7700493 0.87 ITGB3 (0.47) ITGB3ITGA2BHPGDITGAVF2
SCHEMBL7700495 0.87 ITGB3 (0.47) ITGB3ITGA2BHPGDITGAVF2
SCHEMBL7698698 0.85 ITGB3 (0.40) ITGB3ITGA2BF2TMPRSS6PLAU
SCHEMBL7698702 0.85 ITGB3 (0.40) ITGB3ITGA2BF2TMPRSS6PLAU
SCHEMBL7702509 0.80 ITGB3 (0.48) ITGB3ITGA2BITGAVF2

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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