SCHEMBL7704935

SCHEMBL7704935

COC(=O)C(CNC(=O)CO/N=C/c1ccc(C#N)cc1)NS(=O)(=O)c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ITGAV P06756 1/20 0.38
▸ F2 P00734 4/20 0.38
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL7704937 1.00 LMNA (0.45) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL7696082 0.92 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL7696079 0.92 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL7702556 0.86 MAPT (0.41) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL7702564 0.86 MAPT (0.41) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL7703837 0.85 ALDH1A1 (0.45) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL7697136 0.79 ITGB3 (0.45) ALDH1A1MAPTKMT2AHPGDKDM4E
SCHEMBL7697141 0.79 ITGB3 (0.45) ALDH1A1MAPTKMT2AHPGDKDM4E
SCHEMBL7698698 0.78 ITGB3 (0.40) F2
SCHEMBL7698702 0.78 ITGB3 (0.40) F2

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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