SCHEMBL7422479

SCHEMBL7422479

O=C1Nc2ccccc2C[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 8/20 0.46
▸ PYGM P11217 6/20 0.46
▸ BRD4 O60885 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ RIPK1 Q13546 3/20 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
SCHEMBL1270287 0.87 PYGL (0.49) PYGLPYGMNPC1MAPK13MAPK12
SCHEMBL1270286 0.87 PYGL (0.49) PYGLPYGMNPC1MAPK13MAPK12
SCHEMBL8889903 0.79 GSK3B (0.36) PYGLPYGMMAPTGAARIPK1
SCHEMBL14108161 0.76 PYGL (0.54) PYGLPYGMBRD4CREBBPHDAC1
SCHEMBL13324479 0.76 CREBBP (0.51) PYGLPYGMBRD4CREBBPAHR
SCHEMBL30250544 0.76 RIPK1 (0.49) BRD4CREBBPHDAC1HDAC8HDAC6
SCHEMBL25329367 0.76 PYGL (0.64) PYGLPYGMBRD4CREBBPMAPT
SCHEMBL15541576 0.76 PYGL (0.64) PYGLPYGMBRD4CREBBPMAPT
SCHEMBL29900499 0.76 PYGL (0.64) PYGLPYGMBRD4CREBBPMAPT
SCHEMBL7344411 0.74 PYGL (0.49) PYGLPYGMBRD4CREBBPHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594006-A SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 — — US disclosed
EP-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 — — EP disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 — — WO disclosed
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