SCHEMBL806658

SCHEMBL806658

Cc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.67
▸ MEN1 O00255 3/20 0.67
▸ ALDH1A1 P00352 4/20 0.56
▸ NPSR1 Q6W5P4 5/20 0.55
▸ POLB P06746 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ MMP2 P08253 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ LMNA P02545 2/20 0.52
▸ OXTR P30559 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ALOX12 P18054 1/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL16265374 0.76 MEN1 (0.69) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL11888649 0.72 GAA (0.64) KMT2AMEN1ALDH1A1NPSR1POLB
SCHEMBL20657050 0.71 KMT2A (0.76) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL13652637 0.70 KMT2A (0.60) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL10695522 0.70 KMT2A (0.60) KMT2AMEN1POLBLMNAMAPT
SCHEMBL529488 0.70 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL806780 0.70 SMN1; SMN2 (1.00) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL17340104 0.70 OXTR (0.64) KMT2AMEN1ALDH1A1NPSR1POLB
SCHEMBL28101490 0.69 RAB9A (0.66) KMT2AMEN1ALDH1A1NPSR1POLB
SCHEMBL24279764 0.69 MMP2 (0.57) KMT2AMEN1ALDH1A1NPSR1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212134-B2 Inhibitors of viral entry into mammalian cells MICROBIOTIX, INC. (US) 2015-12-15 — — US disclosed
WO-2012037119-A2 INHIBITORS OF VIRAL ENTRY INTO MAMMALIAN CELLS MICROBIOTIX, INC. (US) 2012-03-22 — — WO disclosed
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