SCHEMBL14108161

SCHEMBL14108161

O=C1Nc2ccccc2CC1NCl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 11/20 0.54
▸ PYGM P11217 9/20 0.54
▸ BRD4 O60885 1/20 0.47
▸ CREBBP Q92793 1/20 0.47
▸ AHR P35869 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPK13 O15264 1/20 0.42
▸ MAPK12 P53778 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 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
SCHEMBL13324479 0.83 CREBBP (0.51) PYGLPYGMBRD4CREBBPAHR
SCHEMBL7344411 0.80 PYGL (0.49) PYGLPYGMBRD4CREBBPAHR
SCHEMBL29900499 0.79 PYGL (0.64) PYGLPYGMBRD4CREBBPMAPT
SCHEMBL15541576 0.79 PYGL (0.64) PYGLPYGMBRD4CREBBPMAPT
SCHEMBL25329367 0.79 PYGL (0.64) PYGLPYGMBRD4CREBBPMAPT
SCHEMBL651545 0.79 PSEN1 (0.48) PYGLPYGMBRD4CREBBP
SCHEMBL2837105 0.78 PYGL (0.60) PYGLPYGMBRD4CREBBP
SCHEMBL7422479 0.76 PYGL (0.46) PYGLPYGMBRD4CREBBPAHR
SCHEMBL17827483 0.75 PYGL (0.45) PYGLPYGMBRD4CREBBPAHR
SCHEMBL8274775 0.74 CREBBP (0.39) PYGLPYGMBRD4CREBBPMAPT

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-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 — — US disclosed
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