SCHEMBL7703837

SCHEMBL7703837

COC(=O)[C@H](CNC(=O)CON=C(C)c1ccc(C#N)cc1)NS(=O)(=O)c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ITGAV P06756 2/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 2/20 0.37
▸ F2 P00734 4/20 0.37
▸ PSMB8 P28062 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ FBP1 P09467 3/20 0.34
▸ GFER P55789 1/20 0.34

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
SCHEMBL7697072 0.88 F2 (0.41) HPGDF2
SCHEMBL7704937 0.85 LMNA (0.45) ALDH1A1SMN1; SMN2LMNAITGAVNPC1
SCHEMBL7704935 0.85 LMNA (0.45) ALDH1A1SMN1; SMN2LMNAITGAVNPC1
SCHEMBL7700493 0.80 ITGB3 (0.47) ITGAVHPGDF2
SCHEMBL7700495 0.80 ITGB3 (0.47) ITGAVHPGDF2
SCHEMBL7696079 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAITGAVHPGD
SCHEMBL7696082 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAITGAVHPGD
SCHEMBL7702556 0.75 MAPT (0.41) ALDH1A1SMN1; SMN2LMNAHPGDF2
SCHEMBL7702564 0.75 MAPT (0.41) ALDH1A1SMN1; SMN2LMNAHPGDF2
SCHEMBL8356153 0.73 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAITGAVNPC1

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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